6-chloro-4-methyl-3-phenylpyridazine

• ChemBase ID: 79873
• Molecular Formular: C11H9ClN2
• Molecular Mass: 204.65556
• Monoisotopic Mass: 204.04542598
• SMILES: n1nc(cc(c1c1ccccc1)C)Cl
• Canonical SMILES: Clc1nnc(c(c1)C)c1ccccc1
• InChI: InChI=1S/C11H9ClN2/c1-8-7-10(12)13-14-11(8)9-5-3-2-4-6-9/h2-7H,1H3
• InChIKey: SLWRMNONFLILEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-methyl-3-phenylpyridazine
• IUPAC Traditional name: 6-chloro-4-methyl-3-phenylpyridazine
• Synonyms: 6-chloro-4-methyl-3-phenylpyridazine

Database IDs

• MDL Number: MFCD00218489
• PubChem SID: 162044636
• PubChem CID: 6409790

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.146517
• LogD (pH = 7.4): 3.1465223
• Log P: 3.1465223
• Molar Refractivity: 59.4359 cm^3
• Polarizability: 23.217129 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true