5H,6H,7H-cyclopenta[b]pyridin-4-amine

• ChemBase ID: 288875
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: Nc1c2CCCc2ncc1
• Canonical SMILES: Nc1ccnc2c1CCC2
• InChI: InChI=1S/C8H10N2/c9-7-4-5-10-8-3-1-2-6(7)8/h4-5H,1-3H2,(H2,9,10)
• InChIKey: UGUBGYFVJPTEIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[b]pyridin-4-amine
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[b]pyridin-4-amine
• Synonyms: 6,7-Dihydro-5H-cyclopenta[b]pyridin-4-amine

Database IDs

• CAS Number: 78183-15-0
• MDL Number: MFCD13175772
• PubChem SID: 180674406
• PubChem CID: 15087827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6412952
• LogD (pH = 7.4): -0.5317098
• Log P: 0.80824894
• Molar Refractivity: 41.0589 cm^3
• Polarizability: 15.205717 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%