Ethyl 5-bromopyridine-3-carboxylate

CAS 20986-40-7  ·  C8H8BrNO2  ·  MW 230.06 g/mol

Full record: Ethyl 5-bromopyridine-3-carboxylate — Safety Data Sheet →

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3D model Ethyl 5-bromopyridine-3-carboxylate, CAS 20986-40-7, molecular formula C8H8BrNO2, molar mass 230.06 g/mol

Model views

  • Ethyl 5-bromopyridine-3-carboxylate (CAS 20986-40-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Ethyl 5-bromopyridine-3-carboxylate (CAS 20986-40-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Ethyl 5-bromopyridine-3-carboxylate (CAS 20986-40-7) – 2D structure, MolGod Viewer
    2D structure

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Ethyl 5-bromopyridine-3-carboxylate (CAS 20986-40-7), C8H8BrNO2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_738-249-542-92 · normal · 8,704 △ · 425 KB · SHA-256 325bd0101f51ecfc

Download 3D model: Ethyl 5-bromopyridine-3-carboxylate, C8H8BrNO2, CAS 20986-40-7 · NORMAL · 425 KB

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About Ethyl 5-bromopyridine-3-carboxylate

Ethyl 5-bromopyridine-3-carboxylate is a chemical compound registered under number CAS 20986-40-7, with the molecular formula C8H8BrNO2, and a molar mass of 230.06 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is ethyl 5-bromopyridine-3-carboxylate. 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 = 2 (positive value, a lipophilic compound), polar surface area PSA = 39.2 Ų, 0 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 formulaC8H8BrNO2
Molar mass230.06 g/mol
IUPACethyl 5-bromopyridine-3-carboxylate
SMILESCCOC(=O)C1=CC(=CN=C1)Br
InChIKeyPCPIANOJERKFJI-UHFFFAOYSA-N
logP (XLogP3)2
PSA39.2 Ų
HBD / HBA0 / 3
PubChem CIDCID 140785 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 20986-40-7 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
ethyl 5-bromopyridine-3-carboxylate · RefChem:595730 · 674-614-8 · Ethyl 5-bromonicotinate · 20986-40-7 · 5-bromonicotinic acid ethyl ester · 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, ETHYL ESTER · 5-Bromo-3-pyridinecarboxylic Acid Ethyl Ester · MFCD00040366 · Ethyl 5-Bromo-3-pyridinecarboxylate · SCHEMBL158686 · HMS558M07 · 5-bromo nicotinic acid ethyl ester · STK784022 · AKOS000265047
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Ethyl 5-bromopyridine-3-carboxylate · 20986-40-7
InChIKey
PCPIANOJERKFJI-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Ethyl 5-bromopyridine-3-carboxylate (CAS 20986-40-7)
License & provenance record
Ethyl 5-bromopyridine-3-carboxylate (CAS 20986-40-7) →
MolGod molecule record
Ethyl 5-bromopyridine-3-carboxylate →
Source data
PubChem CID 140785 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
325bd0101f51ecfc219458c436d243320355a2ef56f1956e587ed86bc2b4437f
MD5 (STL)
96c38f1ba64e1c27f03fadb674140b05
MolGod Identification Number
MG_738-249-542-92
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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