2-methyl-5-nitropyridin-3-amine

• ChemBase ID: 806493
• Molecular Formular: C6H7N3O2
• Molecular Mass: 153.13868
• Monoisotopic Mass: 153.05382648
• SMILES: n1c(c(cc(c1)[N+](=O)[O-])N)C
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)N)C
• InChI: InChI=1S/C6H7N3O2/c1-4-6(7)2-5(3-8-4)9(10)11/h2-3H,7H2,1H3
• InChIKey: BIGJOIAURNWIEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-nitropyridin-3-amine
• IUPAC Traditional name: 2-methyl-5-nitropyridin-3-amine
• Synonyms: 2-METHYL-5-NITROPYRIDIN-3-AMINE

Database IDs

• CAS Number: 51984-61-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.0020186696
• LogD (pH = 7.4): -0.0019984643
• Log P: -0.0019982066
• Molar Refractivity: 39.5135 cm^3
• Polarizability: 14.275061 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%