2-methyl-3-nitropyridin-4-amine

• ChemBase ID: 69893
• Molecular Formular: C6H7N3O2
• Molecular Mass: 153.13868
• Monoisotopic Mass: 153.05382648
• SMILES: c1(c(c(ccn1)N)[N+](=O)[O-])C
• Canonical SMILES: [O-][N+](=O)c1c(N)ccnc1C
• InChI: InChI=1S/C6H7N3O2/c1-4-6(9(10)11)5(7)2-3-8-4/h2-3H,1H3,(H2,7,8)
• InChIKey: PWMOQGXCXFHJMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-nitropyridin-4-amine
• IUPAC Traditional name: 2-methyl-3-nitropyridin-4-amine
• Synonyms: 4-Amino-2-methyl-3-nitropyridine

Database IDs

• CAS Number: 27582-14-5
• MDL Number: MFCD08277309
• PubChem SID: 162035618
• PubChem CID: 13040398

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.35541543
• LogD (pH = 7.4): 0.6425891
• Log P: 0.6480018
• Molar Refractivity: 39.5135 cm^3
• Polarizability: 14.273566 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%