6-chloro-N-cyclopropylpyridazine-3-carboxamide

• ChemBase ID: 238256
• Molecular Formular: C8H8ClN3O
• Molecular Mass: 197.62162
• Monoisotopic Mass: 197.03558957
• SMILES: C(=O)(c1nnc(cc1)Cl)NC1CC1
• Canonical SMILES: O=C(c1ccc(nn1)Cl)NC1CC1
• InChI: InChI=1S/C8H8ClN3O/c9-7-4-3-6(11-12-7)8(13)10-5-1-2-5/h3-5H,1-2H2,(H,10,13)
• InChIKey: GLUKDYKSLKTPRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12165799
• PubChem SID: 164294166
• PubChem CID: 60858858

CALCULATED PROPERTIES

• Acid pKa: 13.714444
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.52575654
• LogD (pH = 7.4): 0.5257563
• Log P: 0.52575654
• Molar Refractivity: 50.4448 cm^3
• Polarizability: 18.2304 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.606

Product Information

• Purity: 95%