pyrido[2,3-b]pyrazine

• ChemBase ID: 81975
• Molecular Formular: C7H5N3
• Molecular Mass: 131.1347
• Monoisotopic Mass: 131.04834718
• SMILES: n1cccc2nccnc12
• Canonical SMILES: c1ccc2c(n1)nccn2
• InChI: InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H
• InChIKey: YEYHFKBVNARCNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrido[2,3-b]pyrazine
• IUPAC Traditional name: pyrido(2,3)pyrazine
• Synonyms: pyrido[2,3-b]pyrazine; PYRIDO(2,3,B)PYRAZINE; 1,4,5-Triazanaphthalene; Pyrido[2,3-b]pyrazine; 吡啶并[2

Database IDs

• CAS Number: 322-46-3
• EC Number: 206-294-9
• MDL Number: MFCD00006717
• PubChem SID: 162069094
• PubChem CID: 67580

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40612966
• LogD (pH = 7.4): 0.40640697
• Log P: 0.4064105
• Molar Refractivity: 36.8663 cm^3
• Polarizability: 14.489028 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-144°C
• Partition Coefficient: 0.45906

Safety Information

• RTECS: UV1151600
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05221530

MP Biomedicals Rare Chemical collection