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

• ChemBase ID: 113057
• Molecular Formular: C9H7BrN2O
• Molecular Mass: 239.06868
• Monoisotopic Mass: 237.97417485
• SMILES: c12nc(ccc1nccc2Br)OC
• Canonical SMILES: COc1ccc2c(n1)c(Br)ccn2
• InChI: InChI=1S/C9H7BrN2O/c1-13-8-3-2-7-9(12-8)6(10)4-5-11-7/h2-5H,1H3
• InChIKey: HPQMRRPAOIGXFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 881658-92-0
• PubChem SID: 162097842
• PubChem CID: 53421617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5043998
• LogD (pH = 7.4): 2.5046146
• Log P: 2.5046172
• Molar Refractivity: 51.8499 cm^3
• Polarizability: 21.321373 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: >95%