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

• ChemBase ID: 114014
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1c(c(cc2c1cccn2)C)Cl
• Canonical SMILES: Cc1cc2ncccc2nc1Cl
• InChI: InChI=1S/C9H7ClN2/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3
• InChIKey: ZLMWTBCPHZEGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12404062
• PubChem SID: 162100185
• PubChem CID: 43841806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.636593
• LogD (pH = 7.4): 2.63672
• Log P: 2.6367216
• Molar Refractivity: 48.3577 cm^3
• Polarizability: 19.740902 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.61353

Product Information

• Purity: 95+%