6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid

C8H3F6NO2 — CID 118825978

IUPAC6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c(F)c(C(F)F)n1
InChIInChI=1S/C8H3F6NO2/c9-4-2(8(12,13)14)1-3(7(16)17)15-5(4)6(10)11/h1,6H,(H,16,17)
InChIKeyUYOJLCPDOQHYFR-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.88
Rot. Bonds2

About 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid

6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118825978) has the molecular formula C8H3F6NO2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118825978
Molecular FormulaC8H3F6NO2
Molecular Weight259.11 g/mol
Exact Mass259.01
IUPAC Name6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c(F)c(C(F)F)n1
InChIInChI=1S/C8H3F6NO2/c9-4-2(8(12,13)14)1-3(7(16)17)15-5(4)6(10)11/h1,6H,(H,16,17)
InChIKeyUYOJLCPDOQHYFR-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 118811846
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674275
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118854183
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130108285
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118846473

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118825978) is 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)c(F)c(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is UYOJLCPDOQHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO2/c9-4-2(8(12,13)14)1-3(7(16)17)15-5(4)6(10)11/h1,6H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid?
6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 259.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118825978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).