2H,3H,4H-pyrano[3,2-b]pyridin-8-ol

• ChemBase ID: 102012
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1cc(c2c(n1)CCCO2)O
• Canonical SMILES: Oc1ccnc2c1OCCC2
• InChI: InChI=1S/C8H9NO2/c10-7-3-4-9-6-2-1-5-11-8(6)7/h3-4H,1-2,5H2,(H,9,10)
• InChIKey: JFVUNBXCJHTYQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H,4H-pyrano[3,2-b]pyridin-8-ol
• IUPAC Traditional name: 2H,3H,4H-pyrano[3,2-b]pyridin-8-ol
• Synonyms: 3,4-Dihydro-2H-pyrano[3,2-b]pyridin-8-ol

Database IDs

• PubChem SID: 162105669
• PubChem CID: 71300165

CALCULATED PROPERTIES

• Acid pKa: 10.719905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.64777124
• LogD (pH = 7.4): 0.65243137
• Log P: 0.65270996
• Molar Refractivity: 39.832 cm^3
• Polarizability: 15.445927 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true