7-methyl-1,8-naphthyridin-2-amine

• ChemBase ID: 57922
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1c2nc(ccc2ccc1N)C
• Canonical SMILES: Cc1ccc2c(n1)nc(cc2)N
• InChI: InChI=1S/C9H9N3/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h2-5H,1H3,(H2,10,11,12)
• InChIKey: ZIFGWWCUONMOLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,8-naphthyridin-2-amine
• IUPAC Traditional name: 7-methyl-1,8-naphthyridin-2-amine
• Synonyms: 7-Methyl-1,8-naphthyridin-2-amine

Database IDs

• CAS Number: 1568-93-0
• MDL Number: MFCD06408360
• PubChem SID: 162062685
• PubChem CID: 594420

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1351235
• LogD (pH = 7.4): 1.1351342
• Log P: 1.1351343
• Molar Refractivity: 49.0006 cm^3
• Polarizability: 18.282225 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false