3-chloro-6-cyclopropylpyridazine

• ChemBase ID: 273152
• Molecular Formular: C7H7ClN2
• Molecular Mass: 154.59688
• Monoisotopic Mass: 154.02977591
• SMILES: n1nc(ccc1C1CC1)Cl
• Canonical SMILES: Clc1ccc(nn1)C1CC1
• InChI: InChI=1S/C7H7ClN2/c8-7-4-3-6(9-10-7)5-1-2-5/h3-5H,1-2H2
• InChIKey: ACJSHZDZIPOAFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-cyclopropylpyridazine
• IUPAC Traditional name: 3-chloro-6-cyclopropylpyridazine
• Synonyms: 3-chloro-6-cyclopropylpyridazine

Database IDs

• MDL Number: MFCD14702638
• PubChem SID: 164329062
• PubChem CID: 52376167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5111727
• LogD (pH = 7.4): 1.5111915
• Log P: 1.5111917
• Molar Refractivity: 41.6212 cm^3
• Polarizability: 15.228597 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 1.223

Product Information

• Purity: 95%