2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid

C15H14ClNO2 — CID 79019511

IUPAC2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
SMILESO=C(O)C(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-4-2-12(3-5-13)14(15(18)19)6-1-11-7-9-17-10-8-11/h2-5,7-10,14H,1,6H2,(H,18,19)
InChIKeyAJKNBJLPLFPFPG-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid

2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid (PubChem CID 79019511) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
PubChem CID79019511
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
SMILESO=C(O)C(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-4-2-12(3-5-13)14(15(18)19)6-1-11-7-9-17-10-8-11/h2-5,7-10,14H,1,6H2,(H,18,19)
InChIKeyAJKNBJLPLFPFPG-UHFFFAOYSA-N
XLogP3.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 110296857
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590790
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
CID 39346452
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
(2R)-2-(4-chlorophenyl)-4-[di(propan-2-yl)amino]butanoic acid
CID 27281938
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid (CID 79019511) is 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid is O=C(O)C(CCc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid?
The InChIKey is AJKNBJLPLFPFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-4-2-12(3-5-13)14(15(18)19)6-1-11-7-9-17-10-8-11/h2-5,7-10,14H,1,6H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid?
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 79019511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).