2-(6-amino-5-phenyl-3-pyridinyl)acetic acid

C13H12N2O2 — CID 119010106

IUPAC2-(6-amino-5-phenyl-3-pyridinyl)acetic acid
SMILESNc1ncc(CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c14-13-11(10-4-2-1-3-5-10)6-9(8-15-13)7-12(16)17/h1-6,8H,7H2,(H2,14,15)(H,16,17)
InChIKeyNXAAFZPUQQLXTQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.96
Rot. Bonds3

About 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid

2-(6-amino-5-phenyl-3-pyridinyl)acetic acid (PubChem CID 119010106) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-5-phenyl-3-pyridinyl)acetic acid
PubChem CID119010106
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(6-amino-5-phenyl-3-pyridinyl)acetic acid
SMILESNc1ncc(CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c14-13-11(10-4-2-1-3-5-10)6-9(8-15-13)7-12(16)17/h1-6,8H,7H2,(H2,14,15)(H,16,17)
InChIKeyNXAAFZPUQQLXTQ-UHFFFAOYSA-N
XLogP1.96
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid (CID 119010106) is 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid is Nc1ncc(CC(=O)O)cc1-c1ccccc1.
What is the InChIKey of 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid?
The InChIKey is NXAAFZPUQQLXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13-11(10-4-2-1-3-5-10)6-9(8-15-13)7-12(16)17/h1-6,8H,7H2,(H2,14,15)(H,16,17).
What are the key properties of 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid?
2-(6-amino-5-phenyl-3-pyridinyl)acetic acid has a molecular weight of 228.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-phenyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 119010106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).