3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid

C16H16ClNO3 — CID 110447484

IUPAC3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
SMILESCOc1ccc(-c2cncc(C(C)CC(=O)O)c2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10(5-16(19)20)12-6-13(9-18-8-12)11-3-4-15(21-2)14(17)7-11/h3-4,6-10H,5H2,1-2H3,(H,19,20)
InChIKeySSQKQDSKBDDYKQ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.99
Rot. Bonds5

About 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid

3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid (PubChem CID 110447484) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Name3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
PubChem CID110447484
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
SMILESCOc1ccc(-c2cncc(C(C)CC(=O)O)c2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10(5-16(19)20)12-6-13(9-18-8-12)11-3-4-15(21-2)14(17)7-11/h3-4,6-10H,5H2,1-2H3,(H,19,20)
InChIKeySSQKQDSKBDDYKQ-UHFFFAOYSA-N
XLogP3.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic 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

1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine
CID 82539990
3-[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]butanoic acid
CID 82543122
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
3-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutanoic acid
CID 65021359
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
CID 82303091
3-(3-bromo-4-methoxyphenyl)butanoic acid
CID 82049975
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)butan-1-one
CID 58534870
4-amino-3-(3-chloro-4-methoxyphenyl)-4-methylpentanoic acid
CID 66090246
3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
CID 110447340

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid?
The IUPAC name of 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid (CID 110447484) is 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid.
What is the SMILES notation for 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid?
The canonical SMILES for 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid is COc1ccc(-c2cncc(C(C)CC(=O)O)c2)cc1Cl.
What is the InChIKey of 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid?
The InChIKey is SSQKQDSKBDDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10(5-16(19)20)12-6-13(9-18-8-12)11-3-4-15(21-2)14(17)7-11/h3-4,6-10H,5H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid?
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid has a molecular weight of 305.76 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid is sourced from PubChem (CID 110447484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).