(4-bromopyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 289439
• Molecular Formular: C6H8BrClN2
• Molecular Mass: 223.49812
• Monoisotopic Mass: 221.95593795
• SMILES: NCc1nccc(Br)c1.Cl
• Canonical SMILES: NCc1cc(Br)ccn1.Cl
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-1-2-9-6(3-5)4-8;/h1-3H,4,8H2;1H
• InChIKey: AGGJLXXNEQXMIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromopyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-bromopyridin-2-yl)methanamine hydrochloride
• Synonyms: (4-Bromopyridin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1001414-95-4
• MDL Number: MFCD21604272
• PubChem SID: 180674970
• PubChem CID: 70700299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9520427
• LogD (pH = 7.4): -0.34204295
• Log P: 0.73156637
• Molar Refractivity: 39.4751 cm^3
• Polarizability: 15.605276 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%