N-cyclopentyl-5-nitropyridin-2-amine

• ChemBase ID: 267970
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: [N+](=O)(c1cnc(NC2CCCC2)cc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1)NC1CCCC1
• InChI: InChI=1S/C10H13N3O2/c14-13(15)9-5-6-10(11-7-9)12-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,12)
• InChIKey: FRZYECCLSBDJOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-nitropyridin-2-amine
• IUPAC Traditional name: N-cyclopentyl-5-nitropyridin-2-amine
• Synonyms: N-cyclopentyl-5-nitropyridin-2-amine

Database IDs

• MDL Number: MFCD11120484
• PubChem SID: 164323880
• PubChem CID: 17609620

CALCULATED PROPERTIES

• Acid pKa: 18.88094
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.11721
• LogD (pH = 7.4): 2.1174915
• Log P: 2.117495
• Molar Refractivity: 58.1463 cm^3
• Polarizability: 20.9414 Å^3
• Polar Surface Area: 70.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 2.612

Product Information

• Purity: 95%