6-bromo-3-methyl-1,5-naphthyridin-2-amine

• ChemBase ID: 114003
• Molecular Formular: C9H8BrN3
• Molecular Mass: 238.08392
• Monoisotopic Mass: 236.99015927
• SMILES: n1c(c(cc2nc(ccc12)Br)C)N
• Canonical SMILES: Brc1ccc2c(n1)cc(c(n2)N)C
• InChI: InChI=1S/C9H8BrN3/c1-5-4-7-6(13-9(5)11)2-3-8(10)12-7/h2-4H,1H3,(H2,11,13)
• InChIKey: UKFLBOFHBHHBIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-methyl-1,5-naphthyridin-2-amine
• IUPAC Traditional name: 6-bromo-3-methyl-1,5-naphthyridin-2-amine
• Synonyms: 6-bromo-3-methyl-1,5-naphthyridin-2-amine

Database IDs

• MDL Number: MFCD12548426
• PubChem SID: 162098869
• PubChem CID: 33675795

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5351272
• LogD (pH = 7.4): 2.5520854
• Log P: 2.552306
• Molar Refractivity: 55.9705 cm^3
• Polarizability: 21.722977 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.55253

Product Information

• Purity: 95+%