6-chloro-N-phenylpyridazin-3-amine

• ChemBase ID: 113545
• Molecular Formular: C10H8ClN3
• Molecular Mass: 205.64362
• Monoisotopic Mass: 205.04067495
• SMILES: n1nc(Cl)ccc1Nc1ccccc1
• Canonical SMILES: Clc1ccc(nn1)Nc1ccccc1
• InChI: InChI=1S/C10H8ClN3/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,12,14)
• InChIKey: ULZCESXDSWFKGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-phenylpyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-phenylpyridazin-3-amine
• Synonyms: 6-chloro-N-phenylpyridazin-3-amine

Database IDs

• MDL Number: MFCD03675497
• PubChem SID: 162097939
• PubChem CID: 6401740

CALCULATED PROPERTIES

• Acid pKa: 15.244398
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6343925
• LogD (pH = 7.4): 2.6344085
• Log P: 2.6344087
• Molar Refractivity: 58.4302 cm^3
• Polarizability: 21.2143 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.696

Product Information

• Purity: 95+%