3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid

C14H12ClNO2 — CID 113428295

IUPAC3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H12ClNO2/c15-12-3-1-10(2-4-12)9-13(14(17)18)11-5-7-16-8-6-11/h1-8,13H,9H2,(H,17,18)
InChIKeyVCRMTEUWVIXXFW-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid

3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid (PubChem CID 113428295) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
PubChem CID113428295
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H12ClNO2/c15-12-3-1-10(2-4-12)9-13(14(17)18)11-5-7-16-8-6-11/h1-8,13H,9H2,(H,17,18)
InChIKeyVCRMTEUWVIXXFW-UHFFFAOYSA-N
XLogP3.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
CID 39346452
2-(4-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79430528
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
CID 104572700
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
CID 150059098
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865
3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956018
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid (CID 113428295) is 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid is O=C(O)C(Cc1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid?
The InChIKey is VCRMTEUWVIXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-12-3-1-10(2-4-12)9-13(14(17)18)11-5-7-16-8-6-11/h1-8,13H,9H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid?
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid has a molecular weight of 261.71 g/mol, XLogP of 3.15, 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-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 113428295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).