3-chloro-5-(pyrrolidin-1-yl)pyridazine

• ChemBase ID: 308359
• Molecular Formular: C8H10ClN3
• Molecular Mass: 183.6381
• Monoisotopic Mass: 183.05632502
• SMILES: c1c(N2CCCC2)cnnc1Cl
• Canonical SMILES: Clc1nncc(c1)N1CCCC1
• InChI: InChI=1S/C8H10ClN3/c9-8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2
• InChIKey: KXLKJVIBUHFIRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(pyrrolidin-1-yl)pyridazine
• IUPAC Traditional name: 3-chloro-5-(pyrrolidin-1-yl)pyridazine
• Synonyms: 3-chloro-5-(1-pyrrolidinyl)pyridazine

Database IDs

• MDL Number: MFCD10686614

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1118609
• LogD (pH = 7.4): 1.1138413
• Log P: 1.1138666
• Molar Refractivity: 51.6001 cm^3
• Polarizability: 18.29269 Å^3
• Polar Surface Area: 29.02 Å^2