6-nitroquinolin-2-amine

• ChemBase ID: 266353
• Molecular Formular: C9H7N3O2
• Molecular Mass: 189.17078
• Monoisotopic Mass: 189.05382648
• SMILES: [N+](=O)(c1cc2c(nc(N)cc2)cc1)[O-]
• Canonical SMILES: Nc1ccc2c(n1)ccc(c2)[N+](=O)[O-]
• InChI: InChI=1S/C9H7N3O2/c10-9-4-1-6-5-7(12(13)14)2-3-8(6)11-9/h1-5H,(H2,10,11)
• InChIKey: IBWOBEUJEJNYOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-nitroquinolin-2-amine
• IUPAC Traditional name: 6-nitroquinolin-2-amine
• Synonyms: 6-nitroquinolin-2-amine

Database IDs

• CAS Number: 49609-07-6
• MDL Number: MFCD08690766
• PubChem SID: 164322263
• PubChem CID: 12008794

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6557028
• LogD (pH = 7.4): 1.8335831
• Log P: 1.8364162
• Molar Refractivity: 51.3137 cm^3
• Polarizability: 19.932331 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.643

Product Information

• Purity: 95%; 95+%