6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid

C13H9F2NO2 — CID 69038091

IUPAC6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)O
InChIInChI=1S/C13H9F2NO2/c1-7-9(13(17)18)3-5-12(16-7)8-2-4-10(14)11(15)6-8/h2-6H,1H3,(H,17,18)
InChIKeyXVMLMMLWOPUHRS-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.03
Rot. Bonds2

About 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid

6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 69038091) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
PubChem CID69038091
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)O
InChIInChI=1S/C13H9F2NO2/c1-7-9(13(17)18)3-5-12(16-7)8-2-4-10(14)11(15)6-8/h2-6H,1H3,(H,17,18)
InChIKeyXVMLMMLWOPUHRS-UHFFFAOYSA-N
XLogP3.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
CID 174234102
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27772966
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 82297727
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62746248

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid (CID 69038091) is 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid is Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)O.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is XVMLMMLWOPUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-7-9(13(17)18)3-5-12(16-7)8-2-4-10(14)11(15)6-8/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid?
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 69038091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).