2-bromo-3-methyl-1,5-naphthyridine

• ChemBase ID: 114015
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: n1c(c(cc2c1cccn2)C)Br
• Canonical SMILES: Cc1cc2ncccc2nc1Br
• InChI: InChI=1S/C9H7BrN2/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3
• InChIKey: PYGUNFREGFFNIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-methyl-1,5-naphthyridine
• IUPAC Traditional name: 2-bromo-3-methyl-1,5-naphthyridine
• Synonyms: 2-Bromo-3-methyl-1,5-naphthyridine

Database IDs

• MDL Number: MFCD12404061
• PubChem SID: 162099008
• PubChem CID: 45496216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7866745
• LogD (pH = 7.4): 2.7867732
• Log P: 2.7867744
• Molar Refractivity: 50.9566 cm^3
• Polarizability: 20.566444 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.81953

Product Information

• Purity: 95+%