2H,3H,4H-pyrano[2,3-b]pyridin-6-ol

• ChemBase ID: 102010
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1(cnc2c(c1)CCCO2)O
• Canonical SMILES: Oc1cc2CCCOc2nc1
• InChI: InChI=1S/C8H9NO2/c10-7-4-6-2-1-3-11-8(6)9-5-7/h4-5,10H,1-3H2
• InChIKey: DRTHOGZBINQWFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H,4H-pyrano[2,3-b]pyridin-6-ol
• IUPAC Traditional name: 2H,3H,4H-pyrano[2,3-b]pyridin-6-ol
• Synonyms: 3,4-Dihydro-2H-pyrano[2,3-b]pyridin-6-ol

Database IDs

• PubChem SID: 162105645
• PubChem CID: 71300139

CALCULATED PROPERTIES

• Acid pKa: 9.31188
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3707093
• LogD (pH = 7.4): 1.3680207
• Log P: 1.3732516
• Molar Refractivity: 40.5693 cm^3
• Polarizability: 15.449753 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true