6-bromo-2-chloro-1,8-naphthyridine

• ChemBase ID: 289289
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: Clc1nc2ncc(Br)cc2cc1
• Canonical SMILES: Brc1cnc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C8H4BrClN2/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H
• InChIKey: KXSBJEOTLVRREX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloro-1,8-naphthyridine
• IUPAC Traditional name: 6-bromo-2-chloro-1,8-naphthyridine
• Synonyms: 6-Bromo-2-chloro-1,8-naphthyridine

Database IDs

• CAS Number: 902837-40-5
• MDL Number: MFCD07781152
• PubChem SID: 180674820
• PubChem CID: 25631443

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.831207
• LogD (pH = 7.4): 2.831207
• Log P: 2.831207
• Molar Refractivity: 52.8841 cm^3
• Polarizability: 20.15584 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%; 98%