6-chloro-N,N-dimethylpyridazine-3-carboxamide

• ChemBase ID: 237481
• Molecular Formular: C7H8ClN3O
• Molecular Mass: 185.61092
• Monoisotopic Mass: 185.03558957
• SMILES: C(=O)(c1nnc(cc1)Cl)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(nn1)Cl)C
• InChI: InChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-4-6(8)10-9-5/h3-4H,1-2H3
• InChIKey: GWMVZQMITYLUFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12165825
• PubChem SID: 164293391
• PubChem CID: 60858206

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.28386804
• LogD (pH = 7.4): 0.28386804
• Log P: 0.28386804
• Molar Refractivity: 48.1303 cm^3
• Polarizability: 17.114536 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): -0.75

Product Information

• Purity: 95%