4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid

C13H9F2NO2 — CID 171433762

IUPAC4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)F)c2)ccn1
InChIInChI=1S/C13H9F2NO2/c14-12(15)10-3-1-2-8(6-10)9-4-5-16-11(7-9)13(17)18/h1-7,12H,(H,17,18)
InChIKeyRIOJBOKHUBFPTK-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.38
Rot. Bonds3

About 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid

4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 171433762) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID171433762
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)F)c2)ccn1
InChIInChI=1S/C13H9F2NO2/c14-12(15)10-3-1-2-8(6-10)9-4-5-16-11(7-9)13(17)18/h1-7,12H,(H,17,18)
InChIKeyRIOJBOKHUBFPTK-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-(difluoromethyl)phenyl]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-(3-acetylphenyl)pyridine-2-carboxylic acid
CID 53223096
4-(3-methylsulfonylphenyl)pyridine-2-carboxylic acid
CID 53224214
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352
4-pyrimidin-5-ylpyridine-2-carboxylic acid
CID 130927347
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796
2-[4-(difluoromethyl)phenyl]pyrimidine-4-carboxylic acid
CID 151396435
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-(2-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53223287
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
4-(3,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223777
4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid
CID 167511379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 171433762) is 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cccc(C(F)F)c2)ccn1.
What is the InChIKey of 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is RIOJBOKHUBFPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-12(15)10-3-1-2-8(6-10)9-4-5-16-11(7-9)13(17)18/h1-7,12H,(H,17,18).
What are the key properties of 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid?
4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 171433762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).