2-chloro-6-(piperidine-1-carbonyl)pyrazine

• ChemBase ID: 308049
• Molecular Formular: C10H12ClN3O
• Molecular Mass: 225.67478
• Monoisotopic Mass: 225.0668897
• SMILES: c1(C(=O)N2CCCCC2)nc(Cl)cnc1
• Canonical SMILES: O=C(c1cncc(n1)Cl)N1CCCCC1
• InChI: InChI=1S/C10H12ClN3O/c11-9-7-12-6-8(13-9)10(15)14-4-2-1-3-5-14/h6-7H,1-5H2
• InChIKey: NOLGZCNSKBQBGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(piperidine-1-carbonyl)pyrazine
• Synonyms: 2-chloro-6-(1-piperidinylcarbonyl)pyrazine

Database IDs

• CAS Number: 33332-48-8
• MDL Number: MFCD09864522

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.8963317
• Log P: 0.8963317
• Molar Refractivity: 58.2521 cm^3
• Polarizability: 21.868366 Å^3
• Polar Surface Area: 46.09 Å^2
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.89633167