(5-bromopyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 289777
• Molecular Formular: C6H8BrClN2
• Molecular Mass: 223.49812
• Monoisotopic Mass: 221.95593795
• SMILES: NCc1ncc(Br)cc1.Cl
• Canonical SMILES: NCc1ccc(cn1)Br.Cl
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-1-2-6(3-8)9-4-5;/h1-2,4H,3,8H2;1H
• InChIKey: UCCUYYZYIDJRNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromopyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-bromopyridin-2-yl)methanamine hydrochloride
• Synonyms: (5-Bromopyridin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1241911-26-1
• PubChem SID: 180675308
• PubChem CID: 66632749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.982661
• LogD (pH = 7.4): -0.39408228
• Log P: 0.73156637
• Molar Refractivity: 39.4751 cm^3
• Polarizability: 15.609482 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%