2-chloro-6-methoxypyrazine

• ChemBase ID: 64199
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: n1c(Cl)cncc1OC
• Canonical SMILES: COc1cncc(n1)Cl
• InChI: InChI=1S/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
• InChIKey: XWSSFRJLOZQOCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyrazine
• IUPAC Traditional name: 2-chloro-6-methoxy-pyrazine
• Synonyms: 2-Chloro-6-methoxypyrazine

Database IDs

• CAS Number: 33332-30-8
• MDL Number: MFCD06410937
• PubChem SID: 162029938
• PubChem CID: 11018999

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.79890877
• LogD (pH = 7.4): 0.79890907
• Log P: 0.79890907
• Molar Refractivity: 34.387 cm^3
• Polarizability: 13.08951 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.364

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%