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

• ChemBase ID: 809009
• Molecular Formular: C7H8Cl2N2O2
• Molecular Mass: 223.05662
• Monoisotopic Mass: 221.99628287
• SMILES: Cl.C(C(=O)O)(c1cnc(cc1)Cl)N
• Canonical SMILES: OC(=O)C(c1ccc(nc1)Cl)N.Cl
• InChI: InChI=1S/C7H7ClN2O2.ClH/c8-5-2-1-4(3-10-5)6(9)7(11)12;/h1-3,6H,9H2,(H,11,12);1H
• InChIKey: DHXFSIOUASAUOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 1.0575954
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8672439
• LogD (pH = 7.4): -1.8976308
• Log P: -1.8669965
• Molar Refractivity: 44.0705 cm^3
• Polarizability: 17.165169 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%