8-chloro-2-methoxy-1,5-naphthyridine

• ChemBase ID: 69261
• Molecular Formular: C9H7ClN2O
• Molecular Mass: 194.61768
• Monoisotopic Mass: 194.02469053
• SMILES: n1c(ccc2nccc(c12)Cl)OC
• Canonical SMILES: COc1ccc2c(n1)c(Cl)ccn2
• InChI: InChI=1S/C9H7ClN2O/c1-13-8-3-2-7-9(12-8)6(10)4-5-11-7/h2-5H,1H3
• InChIKey: OPAVZRJSEDSFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-methoxy-1,5-naphthyridine
• IUPAC Traditional name: 8-chloro-2-methoxy-1,5-naphthyridine
• Synonyms: 8-Chloro-2-methoxy-1,5-naphthyridine

Database IDs

• CAS Number: 249889-68-7
• MDL Number: MFCD09027618
• PubChem SID: 162034988
• PubChem CID: 22244395

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3394508
• LogD (pH = 7.4): 2.3399036
• Log P: 2.3399093
• Molar Refractivity: 49.0319 cm^3
• Polarizability: 20.458294 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%