3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid

C20H17ClN2O2 — CID 162671261

IUPAC3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid
SMILESNc1ncc(-c2ccc(CCC(=O)O)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c21-17-8-6-15(7-9-17)18-11-16(12-23-20(18)22)14-4-1-13(2-5-14)3-10-19(24)25/h1-2,4-9,11-12H,3,10H2,(H2,22,23)(H,24,25)
InChIKeyCPYBMXWQSDLGOO-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.67
Rot. Bonds5

About 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid

3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid (PubChem CID 162671261) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid
PubChem CID162671261
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid
SMILESNc1ncc(-c2ccc(CCC(=O)O)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c21-17-8-6-15(7-9-17)18-11-16(12-23-20(18)22)14-4-1-13(2-5-14)3-10-19(24)25/h1-2,4-9,11-12H,3,10H2,(H2,22,23)(H,24,25)
InChIKeyCPYBMXWQSDLGOO-UHFFFAOYSA-N
XLogP4.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid (CID 162671261) is 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid is Nc1ncc(-c2ccc(CCC(=O)O)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid?
The InChIKey is CPYBMXWQSDLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-17-8-6-15(7-9-17)18-11-16(12-23-20(18)22)14-4-1-13(2-5-14)3-10-19(24)25/h1-2,4-9,11-12H,3,10H2,(H2,22,23)(H,24,25).
What are the key properties of 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid?
3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid has a molecular weight of 352.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid is sourced from PubChem (CID 162671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).