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

C12H8FNO2 — CID 46313119

IUPAC3-(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1ccccc1F
InChIInChI=1S/C12H8FNO2/c13-11-4-2-1-3-8(11)10-7-14-6-5-9(10)12(15)16/h1-7H,(H,15,16)
InChIKeyJYGPOUWCXOAGLH-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

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

3-(2-fluorophenyl)pyridine-4-carboxylic acid (PubChem CID 46313119) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-(2-fluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)pyridine-4-carboxylic acid
PubChem CID46313119
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name3-(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1ccccc1F
InChIInChI=1S/C12H8FNO2/c13-11-4-2-1-3-8(11)10-7-14-6-5-9(10)12(15)16/h1-7H,(H,15,16)
InChIKeyJYGPOUWCXOAGLH-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)pyridine-4-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 3-(2-fluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)pyridine-4-carboxylic acid (CID 46313119) is 3-(2-fluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is JYGPOUWCXOAGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-11-4-2-1-3-8(11)10-7-14-6-5-9(10)12(15)16/h1-7H,(H,15,16).
What are the key properties of 3-(2-fluorophenyl)pyridine-4-carboxylic acid?
3-(2-fluorophenyl)pyridine-4-carboxylic acid has a molecular weight of 217.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 46313119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).