2-methoxy-3-nitropyridin-4-amine

• ChemBase ID: 294452
• Molecular Formular: C6H7N3O3
• Molecular Mass: 169.13808
• Monoisotopic Mass: 169.0487411
• SMILES: Nc1c([N+](=O)[O-])c(OC)ncc1
• Canonical SMILES: COc1nccc(c1[N+](=O)[O-])N
• InChI: InChI=1S/C6H7N3O3/c1-12-6-5(9(10)11)4(7)2-3-8-6/h2-3H,1H3,(H2,7,8)
• InChIKey: XADFTCGTAKIZMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-nitropyridin-4-amine
• IUPAC Traditional name: 2-methoxy-3-nitropyridin-4-amine
• Synonyms: 2-Methoxy-3-nitropyridin-4-amine

Database IDs

• CAS Number: 33623-16-4
• MDL Number: MFCD07437848
• PubChem SID: 180679983
• PubChem CID: 13040399

CALCULATED PROPERTIES

• Acid pKa: 19.74754
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9529277
• LogD (pH = 7.4): 0.9534117
• Log P: 0.9534179
• Molar Refractivity: 41.6987 cm^3
• Polarizability: 15.093299 Å^3
• Polar Surface Area: 91.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%