5,8-dichloropyrido[2,3-d]pyridazine

• ChemBase ID: 288679
• Molecular Formular: C7H3Cl2N3
• Molecular Mass: 200.02482
• Monoisotopic Mass: 198.97040247
• SMILES: Clc1nnc(Cl)c2c1cccn2
• Canonical SMILES: Clc1nnc(c2c1nccc2)Cl
• InChI: InChI=1S/C7H3Cl2N3/c8-6-4-2-1-3-10-5(4)7(9)12-11-6/h1-3H
• InChIKey: QNGKPMNRSDSBMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dichloropyrido[2,3-d]pyridazine
• IUPAC Traditional name: 5,8-dichloropyrido[2,3-d]pyridazine
• Synonyms: 5,8-Dichloropyrido[2,3-d]pyridazine

Database IDs

• CAS Number: 703-33-3
• MDL Number: MFCD00193165
• PubChem SID: 180674210
• PubChem CID: 279915

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5818897
• LogD (pH = 7.4): 1.5819017
• Log P: 1.5819018
• Molar Refractivity: 49.4179 cm^3
• Polarizability: 19.121635 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%