2-fluoro-3-phenylpyridine-4-carboxylic acid

C12H8FNO2 — CID 46314938

IUPAC2-fluoro-3-phenylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(F)c1-c1ccccc1
InChIInChI=1S/C12H8FNO2/c13-11-10(8-4-2-1-3-5-8)9(12(15)16)6-7-14-11/h1-7H,(H,15,16)
InChIKeyRBHXZOXMKTUHDX-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

About 2-fluoro-3-phenylpyridine-4-carboxylic acid

2-fluoro-3-phenylpyridine-4-carboxylic acid (PubChem CID 46314938) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-fluoro-3-phenylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-3-phenylpyridine-4-carboxylic acid
PubChem CID46314938
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name2-fluoro-3-phenylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(F)c1-c1ccccc1
InChIInChI=1S/C12H8FNO2/c13-11-10(8-4-2-1-3-5-8)9(12(15)16)6-7-14-11/h1-7H,(H,15,16)
InChIKeyRBHXZOXMKTUHDX-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

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-phenylpyridine-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

Related Compounds

2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 133090252
3-methyl-2-phenylpyridine-4-carboxylic acid
CID 83916989
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
4,6-difluoro-5-phenylpyrimidine
CID 118840417
5-phenylquinoline-4-carboxylic acid
CID 131735607
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 119009735
3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide
CID 146303800
2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid
CID 90991096
2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 119000557
2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
CID 46314978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-phenylpyridine-4-carboxylic acid?
The IUPAC name of 2-fluoro-3-phenylpyridine-4-carboxylic acid (CID 46314938) is 2-fluoro-3-phenylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-fluoro-3-phenylpyridine-4-carboxylic acid?
The canonical SMILES for 2-fluoro-3-phenylpyridine-4-carboxylic acid is O=C(O)c1ccnc(F)c1-c1ccccc1.
What is the InChIKey of 2-fluoro-3-phenylpyridine-4-carboxylic acid?
The InChIKey is RBHXZOXMKTUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-11-10(8-4-2-1-3-5-8)9(12(15)16)6-7-14-11/h1-7H,(H,15,16).
What are the key properties of 2-fluoro-3-phenylpyridine-4-carboxylic acid?
2-fluoro-3-phenylpyridine-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 2-fluoro-3-phenylpyridine-4-carboxylic acid is sourced from PubChem (CID 46314938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).