2-amino-2-(6-phenylpyridin-3-yl)acetic acid hydrochloride

• ChemBase ID: 809010
• Molecular Formular: C13H13ClN2O2
• Molecular Mass: 264.70752
• Monoisotopic Mass: 264.06655535
• SMILES: Cl.C(C(=O)O)(c1cnc(cc1)c1ccccc1)N
• Canonical SMILES: OC(=O)C(c1ccc(nc1)c1ccccc1)N.Cl
• InChI: InChI=1S/C13H12N2O2.ClH/c14-12(13(16)17)10-6-7-11(15-8-10)9-4-2-1-3-5-9;/h1-8,12H,14H2,(H,16,17);1H
• InChIKey: MAUCIEQKALORTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(6-phenylpyridin-3-yl)acetic acid hydrochloride
• IUPAC Traditional name: amino(6-phenylpyridin-3-yl)acetic acid hydrochloride
• Synonyms: 2-AMINO-2-(6-PHENYLPYRIDIN-3-YL)ACETIC ACID HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 1.827272
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.65698373
• LogD (pH = 7.4): -0.68408036
• Log P: -0.6573785
• Molar Refractivity: 62.9686 cm^3
• Polarizability: 26.10489 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%