(6-bromopyridin-2-yl)methanamine

• ChemBase ID: 286953
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: NCc1nc(Br)ccc1
• Canonical SMILES: NCc1cccc(n1)Br
• InChI: InChI=1S/C6H7BrN2/c7-6-3-1-2-5(4-8)9-6/h1-3H,4,8H2
• InChIKey: WNUXZPQIGBMHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromopyridin-2-yl)methanamine
• IUPAC Traditional name: (6-bromopyridin-2-yl)methanamine
• Synonyms: 6-BROMO-2-PYRIDINEMETHANAMINE; (6-Bromopyridin-2-yl)methanamine

Database IDs

• CAS Number: 188637-63-0
• MDL Number: MFCD09261221
• PubChem SID: 180672484
• PubChem CID: 18771861

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7745681
• LogD (pH = 7.4): -0.18405662
• Log P: 0.9370884
• Molar Refractivity: 40.3173 cm^3
• Polarizability: 15.658377 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%