3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-

CAS 158063-66-2  ·  C7H4F3NO2  ·  MW 191.11 g/mol

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3D model 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, CAS 158063-66-2, molecular formula C7H4F3NO2, molar mass 191.11 g/mol
About 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-

3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- is a chemical compound registered under number CAS 158063-66-2, with the molecular formula C7H4F3NO2, and a molar mass of 191.11 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 4-(trifluoromethyl)pyridine-3-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 = 1.3 (positive value, a lipophilic compound), polar surface area PSA = 50.2 Ų, 1 donors and 6 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 formulaC7H4F3NO2
Masa molowa191.11 g/mol
IUPAC4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESC1=CN=CC(=C1C(F)(F)F)C(=O)O
InChIKeyLMRJHNFECNKDKH-UHFFFAOYSA-N
logP (XLogP3)1.3
PSA50.2 Ų
HBD / HBA1 / 6
PubChem CIDCID 2777549 ↗
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

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

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1979: 1 articles19791993: 1 articles2005: 1 articles20052024: 1 articles2024

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

Synonyms
158063-66-2 · 4-(Trifluoromethyl)pyridine-3-carboxylic acid · 3-pyridinecarboxylic acid, 4-(trifluoromethyl)- · 4-Trifluoromethylnicotinic acid · 4-Trifluoromethylpyridine-3-carboxylic acid · 04F679X18B · RefChem:505193 · DTXCID00331583 · 623-902-1 · 4-(Trifluoromethyl)nicotinic acid · tfna · MFCD00082626 · Flonicamid (free acid) · 4-Trifluoromethyl-nicotinic acid · 4-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID
Data sources
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3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- · 158063-66-2
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Source data
PubChem CID 2777549 ↗
SHA-256 (STL)
bb24b9d69fdd40413a3ec24b982c2d14d208cdabb7da85afa8230d6ac2465e71
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