7,10-dichloro-2-methoxybenzo[b]1,5-naphthyridine

• ChemBase ID: 289436
• Molecular Formular: C13H8Cl2N2O
• Molecular Mass: 279.12142
• Monoisotopic Mass: 278.00136825
• SMILES: COc1nc2c(Cl)c3ccc(Cl)cc3nc2cc1
• Canonical SMILES: COc1ccc2c(n1)c(Cl)c1c(n2)cc(cc1)Cl
• InChI: InChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
• InChIKey: KHPZCNJKNIHKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,10-dichloro-2-methoxybenzo[b]1,5-naphthyridine
• IUPAC Traditional name: 7,10-dichloro-2-methoxybenzo[b]1,5-naphthyridine
• Synonyms: 7,10-Dichloro-2-methoxybenzo[b]-1,5-naphthyridine

Database IDs

• CAS Number: 6626-40-0
• MDL Number: MFCD00160720
• PubChem SID: 180674967
• PubChem CID: 23107

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.319009
• LogD (pH = 7.4): 4.319278
• Log P: 4.319281
• Molar Refractivity: 69.9149 cm^3
• Polarizability: 29.845732 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%