6-methyl-1H,2H,3H-pyrido[2,3-b][1,4]oxazine

• ChemBase ID: 246943
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c12nc(ccc1NCCO2)C
• Canonical SMILES: Cc1ccc2c(n1)OCCN2
• InChI: InChI=1S/C8H10N2O/c1-6-2-3-7-8(10-6)11-5-4-9-7/h2-3,9H,4-5H2,1H3
• InChIKey: CCTPHLYUFGNYRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H,2H,3H-pyrido[2,3-b][1,4]oxazine
• IUPAC Traditional name: 6-methyl-1H,2H,3H-pyrido[2,3-b][1,4]oxazine
• Synonyms: 6-methyl-1H,2H,3H-pyrido[2,3-b][1,4]oxazine

Database IDs

• MDL Number: MFCD20688280
• PubChem SID: 164302853
• PubChem CID: 66819162

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6184858
• LogD (pH = 7.4): 0.6249006
• Log P: 0.624983
• Molar Refractivity: 43.4941 cm^3
• Polarizability: 15.9716835 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 1.98

Product Information

• Purity: 95%