2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid

C14H12FNO2 — CID 46314277

IUPAC2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(-c2ccccc2F)cnc1CC(=O)O
InChIInChI=1S/C14H12FNO2/c1-9-6-10(8-16-13(9)7-14(17)18)11-4-2-3-5-12(11)15/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyYEVOVCUNELRKGW-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.82
Rot. Bonds3

About 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid

2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid (PubChem CID 46314277) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
PubChem CID46314277
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(-c2ccccc2F)cnc1CC(=O)O
InChIInChI=1S/C14H12FNO2/c1-9-6-10(8-16-13(9)7-14(17)18)11-4-2-3-5-12(11)15/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyYEVOVCUNELRKGW-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic 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-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid (CID 46314277) is 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid is Cc1cc(-c2ccccc2F)cnc1CC(=O)O.
What is the InChIKey of 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
The InChIKey is YEVOVCUNELRKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-6-10(8-16-13(9)7-14(17)18)11-4-2-3-5-12(11)15/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid has a molecular weight of 245.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).