6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid

C12H7F2NO2 — CID 46313893

IUPAC6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C12H7F2NO2/c13-8-3-1-7(2-4-8)9-5-6-10(14)15-11(9)12(16)17/h1-6H,(H,16,17)
InChIKeyJXOSHLHVWMKIRU-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.72
Rot. Bonds2

About 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid

6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 46313893) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID46313893
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C12H7F2NO2/c13-8-3-1-7(2-4-8)9-5-6-10(14)15-11(9)12(16)17/h1-6H,(H,16,17)
InChIKeyJXOSHLHVWMKIRU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid (CID 46313893) is 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid is O=C(O)c1nc(F)ccc1-c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is JXOSHLHVWMKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-8-3-1-7(2-4-8)9-5-6-10(14)15-11(9)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid?
6-fluoro-3-(4-fluorophenyl)pyridine-2-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-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 46313893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).