3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid

C8H3ClF5NO2 — CID 134684920

IUPAC3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc(C(F)F)c1Cl
InChIInChI=1S/C8H3ClF5NO2/c9-4-2(7(16)17)1-3(8(12,13)14)15-5(4)6(10)11/h1,6H,(H,16,17)
InChIKeyNPHJSIOCWLRXDG-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.39
Rot. Bonds2

About 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid

3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 134684920) has the molecular formula C8H3ClF5NO2 and a molecular weight of 275.56 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID134684920
Molecular FormulaC8H3ClF5NO2
Molecular Weight275.56 g/mol
Exact Mass274.98
IUPAC Name3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc(C(F)F)c1Cl
InChIInChI=1S/C8H3ClF5NO2/c9-4-2(7(16)17)1-3(8(12,13)14)15-5(4)6(10)11/h1,6H,(H,16,17)
InChIKeyNPHJSIOCWLRXDG-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118822759
4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674290
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
methyl 3-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133106210
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130108285
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 134684920) is 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)nc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is NPHJSIOCWLRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO2/c9-4-2(7(16)17)1-3(8(12,13)14)15-5(4)6(10)11/h1,6H,(H,16,17).
What are the key properties of 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 275.56 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 134684920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).