2-chloro-5-methoxypyrazine

• ChemBase ID: 288840
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: COc1ncc(Cl)nc1
• Canonical SMILES: COc1cnc(cn1)Cl
• InChI: InChI=1S/C5H5ClN2O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
• InChIKey: TXEDKXSWNOQSKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methoxypyrazine
• IUPAC Traditional name: pyrazine, 2-chloro-5-methoxy-
• Synonyms: 2-Chloro-5-methoxypyrazine

Database IDs

• CAS Number: 33332-31-9
• PubChem SID: 180674371
• PubChem CID: 10986366

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.79890907
• LogD (pH = 7.4): 0.79890907
• Log P: 0.79890907
• Molar Refractivity: 34.387 cm^3
• Polarizability: 13.081053 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%