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

C14H12ClNO2 — CID 20741471

IUPAC3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H12ClNO2/c15-11-6-4-10(5-7-11)12(9-14(17)18)13-3-1-2-8-16-13/h1-8,12H,9H2,(H,17,18)
InChIKeyHWRDTBVLWRXGBF-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.34
Rot. Bonds4

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

3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid (PubChem CID 20741471) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
PubChem CID20741471
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H12ClNO2/c15-11-6-4-10(5-7-11)12(9-14(17)18)13-3-1-2-8-16-13/h1-8,12H,9H2,(H,17,18)
InChIKeyHWRDTBVLWRXGBF-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid (CID 20741471) is 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid is O=C(O)CC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
The InChIKey is HWRDTBVLWRXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-11-6-4-10(5-7-11)12(9-14(17)18)13-3-1-2-8-16-13/h1-8,12H,9H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid has a molecular weight of 261.71 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 20741471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).