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

C13H9ClFNO2 — CID 46314259

IUPAC2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccccc2F)cc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-10-5-8(7-16-12(10)6-13(17)18)9-3-1-2-4-11(9)15/h1-5,7H,6H2,(H,17,18)
InChIKeyKCSVUNJYYBAKIV-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.17
Rot. Bonds3

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

2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 46314259) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID46314259
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccccc2F)cc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-10-5-8(7-16-12(10)6-13(17)18)9-3-1-2-4-11(9)15/h1-5,7H,6H2,(H,17,18)
InChIKeyKCSVUNJYYBAKIV-UHFFFAOYSA-N
XLogP3.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-5-(2-fluorophenyl)-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-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid (CID 46314259) is 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2ccccc2F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is KCSVUNJYYBAKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-10-5-8(7-16-12(10)6-13(17)18)9-3-1-2-4-11(9)15/h1-5,7H,6H2,(H,17,18).
What are the key properties of 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid?
2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 265.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).