6-chloro-2-methyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 125007
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: n1n(c(=O)ccc1Cl)C
• Canonical SMILES: Cn1nc(Cl)ccc1=O
• InChI: InChI=1S/C5H5ClN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
• InChIKey: IMBNTYIRTCQBRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-chloro-2-methylpyridazin-3-one
• Synonyms: 6-chloro-2-methylpyridazin-3(2H)-one

Database IDs

• PubChem SID: 162219360
• PubChem CID: 2783607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.36264923
• LogD (pH = 7.4): 0.36264923
• Log P: 0.36264923
• Molar Refractivity: 35.6415 cm^3
• Polarizability: 12.850097 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true