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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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).