3-chloro-4,5,6-trimethylpyridazine

• ChemBase ID: 247205
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1nc(c(c(c1Cl)C)C)C
• Canonical SMILES: Cc1nnc(c(c1C)C)Cl
• InChI: InChI=1S/C7H9ClN2/c1-4-5(2)7(8)10-9-6(4)3/h1-3H3
• InChIKey: DEJQLXAFELDPEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4,5,6-trimethylpyridazine
• IUPAC Traditional name: 3-chloro-4,5,6-trimethylpyridazine
• Synonyms: 3-chloro-4,5,6-trimethylpyridazine

Database IDs

• MDL Number: MFCD21276230
• PubChem SID: 164303115
• PubChem CID: 65646311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7570606
• LogD (pH = 7.4): 1.7582234
• Log P: 1.7582382
• Molar Refractivity: 44.3044 cm^3
• Polarizability: 15.794409 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.677

Product Information

• Purity: 95%