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

C14H12ClNO2 — CID 42037402

IUPAC(2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-11-6-4-10(5-7-11)13(14(17)18)9-12-3-1-2-8-16-12/h1-8,13H,9H2,(H,17,18)/t13-/m1/s1
InChIKeySNOOVGVNQFWMKJ-CYBMUJFWSA-N
MW261.71 g/mol
LogP3.15
Rot. Bonds4

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

(2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid (PubChem CID 42037402) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
PubChem CID42037402
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-11-6-4-10(5-7-11)13(14(17)18)9-12-3-1-2-8-16-12/h1-8,13H,9H2,(H,17,18)/t13-/m1/s1
InChIKeySNOOVGVNQFWMKJ-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid (CID 42037402) is (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid is O=C(O)[C@H](Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
The InChIKey is SNOOVGVNQFWMKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-11-6-4-10(5-7-11)13(14(17)18)9-12-3-1-2-8-16-12/h1-8,13H,9H2,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid?
(2R)-2-(4-chlorophenyl)-3-pyridin-2-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 (2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 42037402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).