methyl 2H,3H,4H-pyrano[2,3-b]pyridine-6-carboxylate

• ChemBase ID: 102011
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: c1(cnc2c(c1)CCCO2)C(=O)OC
• Canonical SMILES: COC(=O)c1cnc2c(c1)CCCO2
• InChI: InChI=1S/C10H11NO3/c1-13-10(12)8-5-7-3-2-4-14-9(7)11-6-8/h5-6H,2-4H2,1H3
• InChIKey: GESYYXCOIIREIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2H,3H,4H-pyrano[2,3-b]pyridine-6-carboxylate
• IUPAC Traditional name: methyl 2H,3H,4H-pyrano[2,3-b]pyridine-6-carboxylate
• Synonyms: Methyl 3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylate

Database IDs

• PubChem SID: 162105646
• PubChem CID: 71300140

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.6802553
• LogD (pH = 7.4): 1.6802933
• Log P: 1.6802938
• Molar Refractivity: 50.6137 cm^3
• Polarizability: 19.287682 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0