5H,6H,7H-cyclopenta[b]pyridin-7-amine hydrochloride

• ChemBase ID: 289404
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: NC1CCc2cccnc12.Cl
• Canonical SMILES: NC1CCc2c1nccc2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c9-7-4-3-6-2-1-5-10-8(6)7;/h1-2,5,7H,3-4,9H2;1H
• InChIKey: ZJMHTKKYRWAVTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[b]pyridin-7-amine hydrochloride
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[b]pyridin-7-amine hydrochloride
• Synonyms: 6,7-Dihydro-5H-cyclopenta[b]pyridin-7-amine hydrochloride

Database IDs

• PubChem SID: 180674935
• PubChem CID: 71748610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1890192
• LogD (pH = 7.4): -0.7528404
• Log P: 0.6592272
• Molar Refractivity: 39.5082 cm^3
• Polarizability: 15.678623 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%