2-Bromoisonicotinic acid

CAS 66572-56-3  ·  C6H4BrNO2  ·  MW 202.01 g/mol

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3D model 2-Bromoisonicotinic acid, CAS 66572-56-3, molecular formula C6H4BrNO2, molar mass 202.01 g/mol
About 2-Bromoisonicotinic acid

2-Bromoisonicotinic acid is a chemical compound registered under number CAS 66572-56-3, with the molecular formula C6H4BrNO2, and a molar mass of 202.01 g/mol.

The molecule contains 14 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 2-bromopyridine-4-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 = 1.2 (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 formulaC6H4BrNO2
Masa molowa202.01 g/mol
IUPAC2-bromopyridine-4-carboxylic acid
SMILESC1=CN=C(C=C1C(=O)O)Br
InChIKeyYBTKGKVQEXAYEM-UHFFFAOYSA-N
logP (XLogP3)1.2
PSA50.2 Ų
HBD / HBA1 / 3
PubChem CIDCID 222701 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1914: 1 articles19141981: 1 articles2000: 1 articles2001: 2 articles2002: 1 articles2010: 1 articles20102011: 1 articles2019: 1 articles2021: 1 articles2022: 1 articles2022

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(1914) · Die Kunst der Rede
Cytowania: 3$ PaywallDOI ↗

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

Synonyms
2-bromoisonicotinic acid · RefChem:467271 · DTXCID70229867 · 626-472-3 · 66572-56-3 · 2-Bromopyridine-4-carboxylic acid · 2-Bromo-4-Pyridinecarboxylic Acid · 2-Bromo-4-pyridine carboxylic acid · 2-Bromo-isonicotinic acid · MFCD01646069 · NSC9462 · 2-bromo isonicotinic acid · SCHEMBL40395 · 2-bromo4-pyridine carboxylic acid · NSC-9462
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
2-Bromoisonicotinic acid · 66572-56-3
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
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MolGod molecule record
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Source data
PubChem CID 222701 ↗
SHA-256 (STL)
84ab1a1a30b0f9033f456c2284ed7a1bc8ad37421569bef31eaf306a971b1702
Wikimedia Commons
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