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

• ChemBase ID: 809008
• Molecular Formular: C7H8BrClN2O2
• Molecular Mass: 267.50762
• Monoisotopic Mass: 265.94576719
• SMILES: Cl.C(C(=O)O)(c1cnc(cc1)Br)N
• Canonical SMILES: OC(=O)C(c1ccc(nc1)Br)N.Cl
• InChI: InChI=1S/C7H7BrN2O2.ClH/c8-5-2-1-4(3-10-5)6(9)7(11)12;/h1-3,6H,9H2,(H,11,12);1H
• InChIKey: NRCFZTPCWDRAKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 0.6359351
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7173746
• LogD (pH = 7.4): -1.748336
• Log P: -1.7171047
• Molar Refractivity: 46.6694 cm^3
• Polarizability: 18.191952 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%