6-(2,3-difluorophenyl)pyridine-3-carboxylic acid

C12H7F2NO2 — CID 24729986

IUPAC6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(F)c2F)nc1
InChIInChI=1S/C12H7F2NO2/c13-9-3-1-2-8(11(9)14)10-5-4-7(6-15-10)12(16)17/h1-6H,(H,16,17)
InChIKeyGPNIJDSRYMHWAO-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.72
Rot. Bonds2

About 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid

6-(2,3-difluorophenyl)pyridine-3-carboxylic acid (PubChem CID 24729986) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
PubChem CID24729986
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(F)c2F)nc1
InChIInChI=1S/C12H7F2NO2/c13-9-3-1-2-8(11(9)14)10-5-4-7(6-15-10)12(16)17/h1-6H,(H,16,17)
InChIKeyGPNIJDSRYMHWAO-UHFFFAOYSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid (CID 24729986) is 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc(F)c2F)nc1.
What is the InChIKey of 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is GPNIJDSRYMHWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-9-3-1-2-8(11(9)14)10-5-4-7(6-15-10)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 235.19 g/mol, XLogP of 2.72, 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)pyridine-3-carboxylic acid is sourced from PubChem (CID 24729986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).