2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid

C18H12FNO2 — CID 90041623

IUPAC2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12FNO2/c19-13-10-8-12(9-11-13)16-6-3-7-17(20-16)14-4-1-2-5-15(14)18(21)22/h1-11H,(H,21,22)
InChIKeyGDVVOKLQRFSDGN-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.25
Rot. Bonds3

About 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid

2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid (PubChem CID 90041623) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid
PubChem CID90041623
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12FNO2/c19-13-10-8-12(9-11-13)16-6-3-7-17(20-16)14-4-1-2-5-15(14)18(21)22/h1-11H,(H,21,22)
InChIKeyGDVVOKLQRFSDGN-UHFFFAOYSA-N
XLogP4.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic 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 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid (CID 90041623) is 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid is O=C(O)c1ccccc1-c1cccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid?
The InChIKey is GDVVOKLQRFSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2/c19-13-10-8-12(9-11-13)16-6-3-7-17(20-16)14-4-1-2-5-15(14)18(21)22/h1-11H,(H,21,22).
What are the key properties of 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid?
2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid has a molecular weight of 293.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 90041623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).