5H,7H,8H-pyrano[4,3-b]pyridin-3-amine

• ChemBase ID: 247639
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: n1c2c(cc(c1)N)COCC2
• Canonical SMILES: Nc1cc2COCCc2nc1
• InChI: InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
• InChIKey: MDASSZXVCIBITR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,7H,8H-pyrano[4,3-b]pyridin-3-amine
• IUPAC Traditional name: 5H,7H,8H-pyrano[4,3-b]pyridin-3-amine
• Synonyms: 5H,7H,8H-pyrano[4,3-b]pyridin-3-amine

Database IDs

• MDL Number: MFCD13178971
• PubChem SID: 164303549
• PubChem CID: 10796917

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.35971773
• LogD (pH = 7.4): -0.13180447
• Log P: -0.1278639
• Molar Refractivity: 42.9004 cm^3
• Polarizability: 15.975789 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.209

Product Information

• Purity: 95%