6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid

C12H6F3NO2 — CID 59226502

IUPAC6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc(F)c2F)n1
InChIInChI=1S/C12H6F3NO2/c13-7-3-1-2-6(10(7)15)11-8(14)4-5-9(16-11)12(17)18/h1-5H,(H,17,18)
InChIKeyFBQNLPKVGUKULG-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.86
Rot. Bonds2

About 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid

6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 59226502) has the molecular formula C12H6F3NO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID59226502
Molecular FormulaC12H6F3NO2
Molecular Weight253.18 g/mol
Exact Mass253.04
IUPAC Name6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc(F)c2F)n1
InChIInChI=1S/C12H6F3NO2/c13-7-3-1-2-6(10(7)15)11-8(14)4-5-9(16-11)12(17)18/h1-5H,(H,17,18)
InChIKeyFBQNLPKVGUKULG-UHFFFAOYSA-N
XLogP2.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3-difluorophenyl)-5-fluoropyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid (CID 59226502) is 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(-c2cccc(F)c2F)n1.
What is the InChIKey of 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is FBQNLPKVGUKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO2/c13-7-3-1-2-6(10(7)15)11-8(14)4-5-9(16-11)12(17)18/h1-5H,(H,17,18).
What are the key properties of 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 253.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 59226502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).