2-methoxy-5-nitropyridin-4-amine

• ChemBase ID: 88778
• Molecular Formular: C6H7N3O3
• Molecular Mass: 169.13808
• Monoisotopic Mass: 169.0487411
• SMILES: n1c(cc(c(c1)[N+](=O)[O-])N)OC
• Canonical SMILES: COc1ncc(c(c1)N)[N+](=O)[O-]
• InChI: InChI=1S/C6H7N3O3/c1-12-6-2-4(7)5(3-8-6)9(10)11/h2-3H,1H3,(H2,7,8)
• InChIKey: YVXWVLIBEUMASB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-nitropyridin-4-amine
• IUPAC Traditional name: 2-methoxy-5-nitropyridin-4-amine
• Synonyms: 2-Methoxy-5-nitropyridin-4-amine; 4-Amino-2-methoxy-5-nitropyridine; 2-METHOXY-5-NITROPYRIDIN-4-AMINE

Database IDs

• CAS Number: 127356-38-1
• MDL Number: MFCD11977410
• PubChem SID: 162075685
• PubChem CID: 14762698

CALCULATED PROPERTIES

• Acid pKa: 19.41811
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.95321906
• LogD (pH = 7.4): 0.9534154
• Log P: 0.9534179
• Molar Refractivity: 41.6987 cm^3
• Polarizability: 15.090413 Å^3
• Polar Surface Area: 91.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 98%