5-chloro-7-methyl-1,2,3,4-tetrahydro-1,6-naphthyridine

• ChemBase ID: 801751
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: C1CNc2cc(nc(c2C1)Cl)C
• Canonical SMILES: Cc1cc2NCCCc2c(n1)Cl
• InChI: InChI=1S/C9H11ClN2/c1-6-5-8-7(9(10)12-6)3-2-4-11-8/h5,11H,2-4H2,1H3
• InChIKey: APYSOYSSFHBIOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-7-methyl-1,2,3,4-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 5-chloro-7-methyl-1,2,3,4-tetrahydro-1,6-naphthyridine
• Synonyms: 5-CHLORO-7-METHYL-1,2,3,4-TETRAHYDRO-1,6-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0693095
• LogD (pH = 7.4): 1.6519128
• Log P: 1.6684008
• Molar Refractivity: 52.4631 cm^3
• Polarizability: 18.98288 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%