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

C14H11Cl2NO2 — CID 113428198

IUPAC3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1Cl)c1ncccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-5-2-1-4-9(11)8-10(14(18)19)13-12(16)6-3-7-17-13/h1-7,10H,8H2,(H,18,19)
InChIKeySTBXQXAHHLBZNF-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.80
Rot. Bonds4

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

3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid (PubChem CID 113428198) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
PubChem CID113428198
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1Cl)c1ncccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-5-2-1-4-9(11)8-10(14(18)19)13-12(16)6-3-7-17-13/h1-7,10H,8H2,(H,18,19)
InChIKeySTBXQXAHHLBZNF-UHFFFAOYSA-N
XLogP3.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-2-(3-chloro-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-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
CID 104572799
2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
CID 175281524
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
CID 106505344
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089
3-(2-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 104572783
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid (CID 113428198) is 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid is O=C(O)C(Cc1ccccc1Cl)c1ncccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid?
The InChIKey is STBXQXAHHLBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-11-5-2-1-4-9(11)8-10(14(18)19)13-12(16)6-3-7-17-13/h1-7,10H,8H2,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid?
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid has a molecular weight of 296.15 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 113428198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).