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

C15H14ClNO2 — CID 104573313

IUPAC3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1C(Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-10-4-3-7-17-14(10)13(15(18)19)9-11-5-2-6-12(16)8-11/h2-8,13H,9H2,1H3,(H,18,19)
InChIKeyXJUMJRLRQFKDLX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.45
Rot. Bonds4

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

3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 104573313) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID104573313
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1C(Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-10-4-3-7-17-14(10)13(15(18)19)9-11-5-2-6-12(16)8-11/h2-8,13H,9H2,1H3,(H,18,19)
InChIKeyXJUMJRLRQFKDLX-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-(3-chlorophenyl)-2-(3-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

2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
CID 104573362
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
CID 114838814
3-(3-chlorophenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573375
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83955946
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
3-(3-chlorophenyl)-2-(1,2,4-thiadiazol-5-yl)propanoic acid
CID 104573332
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid (CID 104573313) is 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid is Cc1cccnc1C(Cc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is XJUMJRLRQFKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-4-3-7-17-14(10)13(15(18)19)9-11-5-2-6-12(16)8-11/h2-8,13H,9H2,1H3,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid?
3-(3-chlorophenyl)-2-(3-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-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 104573313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).