5H,6H,7H-cyclopenta[b]pyridin-3-amine

• ChemBase ID: 247719
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: n1c2c(cc(c1)N)CCC2
• Canonical SMILES: Nc1cnc2c(c1)CCC2
• InChI: InChI=1S/C8H10N2/c9-7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3,9H2
• InChIKey: KFHTWJPYTFRDLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[b]pyridin-3-amine
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[b]pyridin-3-amine
• Synonyms: 5H,6H,7H-cyclopenta[b]pyridin-3-amine

Database IDs

• MDL Number: MFCD09800570
• PubChem SID: 164303629
• PubChem CID: 10630532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.095979854
• LogD (pH = 7.4): 0.759599
• Log P: 0.80824894
• Molar Refractivity: 41.0589 cm^3
• Polarizability: 15.209587 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.331

Product Information

• Purity: 95%