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

• ChemBase ID: 90566
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(ccc(c1)Br)CNC
• Canonical SMILES: CNCc1ccc(cn1)Br
• InChI: InChI=1S/C7H9BrN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4,9H,5H2,1H3
• InChIKey: DCQLMECRAAGXSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromopyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-bromopyridin-2-yl)methyl](methyl)amine
• Synonyms: 1-(5-Bromopyridin-2-yl)-N-methylmethylamine; 5-Bromo-2-[(methylamino)methyl]pyridine 95%; N-methyl-(5-bromopyrid-2-yl)methylamine

Database IDs

• CAS Number: 915707-70-9
• MDL Number: MFCD09065029
• PubChem SID: 162077363
• PubChem CID: 24229777

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5389795
• LogD (pH = 7.4): 0.1697388
• Log P: 1.1641468
• Molar Refractivity: 44.2497 cm^3
• Polarizability: 17.421875 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Toxic

Product Information

• Purity: 95%; 98%