6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid

C13H9F2NO2 — CID 82119054

IUPAC6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO2/c1-7-4-9(13(17)18)6-16-12(7)8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,17,18)
InChIKeyGCSZYKYLZJIXQO-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.03
Rot. Bonds2

About 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid

6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid (PubChem CID 82119054) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
PubChem CID82119054
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO2/c1-7-4-9(13(17)18)6-16-12(7)8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,17,18)
InChIKeyGCSZYKYLZJIXQO-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-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
CID 171697581
5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
CID 133088713
2-(3,4-difluorophenyl)-3-methylpyridine
CID 142635597
4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
CID 82287519
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62746248
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
6-chloro-5-fluoropyridine-3-carboxylic acid
CID 11513841
2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81440018

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid (CID 82119054) is 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1-c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is GCSZYKYLZJIXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-7-4-9(13(17)18)6-16-12(7)8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid?
6-(3,4-difluorophenyl)-5-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)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 82119054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).