N,N-dimethyl-5-nitropyridin-2-amine

• ChemBase ID: 252882
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: [N+](=O)(c1cnc(N(C)C)cc1)[O-]
• Canonical SMILES: CN(c1ccc(cn1)[N+](=O)[O-])C
• InChI: InChI=1S/C7H9N3O2/c1-9(2)7-4-3-6(5-8-7)10(11)12/h3-5H,1-2H3
• InChIKey: UCAOGXRUJFKQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2554-75-8
• MDL Number: MFCD00023450
• PubChem SID: 164308792
• PubChem CID: 75707

CALCULATED PROPERTIES

• Polarizability: 16.167313 Å^3
• Polar Surface Area: 61.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3978261
• LogD (pH = 7.4): 1.398056
• Log P: 1.398059
• Molar Refractivity: 45.9679 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.284

Product Information

• Purity: 95%