furo[3,2-b]pyridin-7-amine

• ChemBase ID: 44973
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c1cnc2c(c1N)occ2
• Canonical SMILES: Nc1ccnc2c1occ2
• InChI: InChI=1S/C7H6N2O/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H,(H2,8,9)
• InChIKey: PUTFLLAMOPARNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridin-7-amine
• IUPAC Traditional name: furo[3,2-b]pyridin-7-amine
• Synonyms: Furo[3,2-b]pyridin-7-amine; Furo[3,2-b]pyridin-7-amine

Database IDs

• CAS Number: 1186310-74-6
• MDL Number: MFCD12922798
• PubChem SID: 162049736
• PubChem CID: 46737938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7235748
• LogD (pH = 7.4): 0.2680232
• Log P: 0.47162116
• Molar Refractivity: 37.0706 cm^3
• Polarizability: 14.95072 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H6N2O

DETAILS

Sigma Aldrich - ADE001178

Other Notes
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