(6-bromopyridin-3-yl)methanamine

• ChemBase ID: 67759
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: NCc1cnc(cc1)Br
• Canonical SMILES: NCc1ccc(nc1)Br
• InChI: InChI=1S/C6H7BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
• InChIKey: AMCICDDTKARWJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromopyridin-3-yl)methanamine
• IUPAC Traditional name: (6-bromopyridin-3-yl)methanamine
• Synonyms: (6-Bromopyridin-3-yl)methylamine

Database IDs

• CAS Number: 120740-10-5
• MDL Number: MFCD06738744
• PubChem SID: 162033494
• PubChem CID: 22450529

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0759706
• LogD (pH = 7.4): -0.8445186
• Log P: 0.85561645
• Molar Refractivity: 40.8395 cm^3
• Polarizability: 15.65758 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%