4-chloro-2-methyl-1,8-naphthyridine

• ChemBase ID: 51936
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1c(cc(c2cccnc12)Cl)C
• Canonical SMILES: Cc1cc(Cl)c2c(n1)nccc2
• InChI: InChI=1S/C9H7ClN2/c1-6-5-8(10)7-3-2-4-11-9(7)12-6/h2-5H,1H3
• InChIKey: ANAARUOUJJHNRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methyl-1,8-naphthyridine
• IUPAC Traditional name: 4-chloro-2-methyl-1,8-naphthyridine
• Synonyms: 4-Chloro-2-methyl-1,8-naphthyridine

Database IDs

• CAS Number: 1221272-96-3
• MDL Number: MFCD16140201
• PubChem SID: 162056699
• PubChem CID: 53410088

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.973643
• LogD (pH = 7.4): 1.9736474
• Log P: 1.9736475
• Molar Refractivity: 48.7915 cm^3
• Polarizability: 19.015236 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%