Isoquinoline-6-carboxylic acid

CAS 106778-43-2  ·  C10H7NO2  ·  MW 173.17 g/mol

Full record: Isoquinoline-6-carboxylic acid — Safety Data Sheet →

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3D model Isoquinoline-6-carboxylic acid, CAS 106778-43-2, molecular formula C10H7NO2, molar mass 173.17 g/mol

Model views

  • Isoquinoline-6-carboxylic acid molecule chemical structure – ball-and-stick 3D model, molecular formula C10H7NO2: 20 atoms (10 carbon, 7 hydrogen, 1 nitrogen, 2 oxygen) joined by single and double bonds, with an aromatic ring, MolGod Viewer
    ball-and-stick 3D model
  • Isoquinoline-6-carboxylic acid molecule chemical structure – skeletal 3D model, molecular formula C10H7NO2: 20 atoms (10 carbon, 7 hydrogen, 1 nitrogen, 2 oxygen) joined by single and double bonds, with an aromatic ring, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Isoquinoline-6-carboxylic acid molecule chemical structure – 2D structure, molecular formula C10H7NO2: 20 atoms (10 carbon, 7 hydrogen, 1 nitrogen, 2 oxygen) joined by single and double bonds, with an aromatic ring, MolGod Viewer
    2D structure

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Isoquinoline-6-carboxylic acid (CAS 106778-43-2), C10H7NO2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_137-281-064-88 · normal · 8,992 △ · 439 KB · SHA-256 3dac41e8a37827e0

Download 3D model: Isoquinoline-6-carboxylic acid, C10H7NO2, CAS 106778-43-2 · NORMAL · 439 KB

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About Isoquinoline-6-carboxylic acid

Isoquinoline-6-carboxylic acid is a chemical compound registered under number CAS 106778-43-2, with the molecular formula C10H7NO2, and a molar mass of 173.17 g/mol.

The molecule contains 20 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is isoquinoline-6-carboxylic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 50.2 Ų, 1 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC10H7NO2
Molar mass173.17 g/mol
IUPACisoquinoline-6-carboxylic acid
SMILESC1=CC2=C(C=CN=C2)C=C1C(=O)O
InChIKeyADAHADRJWVCICR-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA50.2 Ų
HBD / HBA1 / 3
PubChem CIDCID 22128831 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H332 — Harmful if inhaled

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 106778-43-2 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Isoquinoline-6-carboxylic acid · 106778-43-2 · 6-Isoquinolinecarboxylic acid · RefChem:792323 · DTXCID60573407 · 640-951-4 · MFCD09910323 · 5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLATE · PB31447 · SB20342 · isoquinoline-6-carboxylic acid, AldrichCPR · F2191-0009 · Z1198261891 · ADAHADRJWVC · AM802886
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Isoquinoline-6-carboxylic acid · 106778-43-2
InChIKey
ADAHADRJWVCICR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Isoquinoline-6-carboxylic acid (CAS 106778-43-2)
License & provenance record
Isoquinoline-6-carboxylic acid (CAS 106778-43-2) →
MolGod molecule record
Isoquinoline-6-carboxylic acid →
Source data
PubChem CID 22128831 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
3dac41e8a37827e0116df44a26130ba1a040408c5c446af5f32ade9acb268cb2
MD5 (STL)
aeb87c7bb7d4a9721ec5400379f494a2
MolGod Identification Number
MG_137-281-064-88
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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