[(4-bromopyridin-2-yl)methyl](methyl)amine

• ChemBase ID: 807180
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: N(C)Cc1nccc(c1)Br
• Canonical SMILES: CNCc1cc(Br)ccn1
• InChI: InChI=1S/C7H9BrN2/c1-9-5-7-4-6(8)2-3-10-7/h2-4,9H,5H2,1H3
• InChIKey: SMBDMHSXEUBQPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromopyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-bromopyridin-2-yl)methyl](methyl)amine
• Synonyms: (4-BROMO-PYRIDIN-2-YLMETHYL)-METHYL-AMINE

Database IDs

• CAS Number: 886371-85-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5104201
• LogD (pH = 7.4): 0.205072
• Log P: 1.1641468
• Molar Refractivity: 44.2497 cm^3
• Polarizability: 17.417614 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%