(2-bromopyridin-3-yl)methanamine

• ChemBase ID: 807548
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: C(N)c1c(nccc1)Br
• Canonical SMILES: NCc1cccnc1Br
• InChI: InChI=1S/C6H7BrN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2
• InChIKey: NQCCXGCXCFAFGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromopyridin-3-yl)methanamine
• IUPAC Traditional name: (2-bromopyridin-3-yl)methanamine
• Synonyms: (2-BROMOPYRIDIN-3-YL)METHANAMINE

Database IDs

• CAS Number: 205744-15-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0327358
• LogD (pH = 7.4): -0.67856
• Log P: 0.85561645
• Molar Refractivity: 40.8395 cm^3
• Polarizability: 15.65839 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%