3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid

C15H14ClNO2 — CID 104573413

IUPAC3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)nc1
InChIInChI=1S/C15H14ClNO2/c1-10-2-7-14(17-9-10)13(15(18)19)8-11-3-5-12(16)6-4-11/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyQHNHCKCJANDCMH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.45
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid

3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid (PubChem CID 104573413) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
PubChem CID104573413
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)nc1
InChIInChI=1S/C15H14ClNO2/c1-10-2-7-14(17-9-10)13(15(18)19)8-11-3-5-12(16)6-4-11/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyQHNHCKCJANDCMH-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic 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

3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-(3-bromo-5-chloro-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 114838809
3-(4-chlorophenyl)-2-(5,6-dimethyl-1,2,4-triazin-3-yl)propanoic acid
CID 114788133
2-(5-bromopyrimidin-2-yl)-3-(4-methylphenyl)propanoic acid
CID 104573110
3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
CID 104573417
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid (CID 104573413) is 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid is Cc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)nc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The InChIKey is QHNHCKCJANDCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-2-7-14(17-9-10)13(15(18)19)8-11-3-5-12(16)6-4-11/h2-7,9,13H,8H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 104573413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).