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

• ChemBase ID: 65503
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(cnc2c(c1)CCCO2)N
• Canonical SMILES: Nc1cc2CCCOc2nc1
• InChI: InChI=1S/C8H10N2O/c9-7-4-6-2-1-3-11-8(6)10-5-7/h4-5H,1-3,9H2
• InChIKey: MJJRLQPCPOHTQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20487103
• PubChem SID: 162031242
• PubChem CID: 71299029

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.83826053
• LogD (pH = 7.4): 0.8477682
• Log P: 0.84789085
• Molar Refractivity: 43.2888 cm^3
• Polarizability: 15.971097 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false