Isoquinoline-6-carboxylic acid

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

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3D model Isoquinoline-6-carboxylic acid, CAS 106778-43-2, molecular formula C10H7NO2, molar mass 173.17 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H7NO2
Masa molowa173.17 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 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H332 — Działa szkodliwie w następstwie wdychania

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

2016: 1 articles20162019: 1 articles2020: 4 articles2022: 2 articles2023: 1 articles20232024: 3 articles2025: 2 articles2026: 1 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
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📜 License & provenanceMolGod_License_1
Model
Isoquinoline-6-carboxylic acid · 106778-43-2
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
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Isoquinoline-6-carboxylic acid (CAS 106778-43-2) →
MolGod molecule record
Isoquinoline-6-carboxylic acid →
Source data
PubChem CID 22128831 ↗
SHA-256 (STL)
a0d1f94eb51e8318bfcb5556928699965420f418dfc35ae43cd99fae82f4a265
Wikimedia Commons
not published yet
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