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

• ChemBase ID: 297401
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: c1cc(nc2c1cc(cn2)Cl)Br
• Canonical SMILES: Clc1cnc2c(c1)ccc(n2)Br
• InChI: InChI=1S/C8H4BrClN2/c9-7-2-1-5-3-6(10)4-11-8(5)12-7/h1-4H
• InChIKey: MYEKFWLBXOJSKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 902837-40-5
• MDL Number: MFCD07781152
• PubChem SID: 180682932
• PubChem CID: 42553107

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.816552
• LogD (pH = 7.4): 2.816552
• Log P: 2.816552
• Molar Refractivity: 52.665 cm^3
• Polarizability: 20.160069 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%