6-(3-methoxyphenyl)-3-nitropyridin-2-amine

• ChemBase ID: 309850
• Molecular Formular: C12H11N3O3
• Molecular Mass: 245.23404
• Monoisotopic Mass: 245.08004123
• SMILES: [N+](=O)(c1c(nc(c2cc(OC)ccc2)cc1)N)[O-]
• Canonical SMILES: COc1cccc(c1)c1ccc(c(n1)N)[N+](=O)[O-]
• InChI: InChI=1S/C12H11N3O3/c1-18-9-4-2-3-8(7-9)10-5-6-11(15(16)17)12(13)14-10/h2-7H,1H3,(H2,13,14)
• InChIKey: IHAULJOVNZTPOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-methoxyphenyl)-3-nitropyridin-2-amine
• IUPAC Traditional name: 6-(3-methoxyphenyl)-3-nitropyridin-2-amine
• Synonyms: 6-(3-methoxyphenyl)-3-nitro-2-pyridinamine

Database IDs

• MDL Number: MFCD22575208

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9864266
• LogD (pH = 7.4): 2.9864926
• Log P: 2.9864936
• Molar Refractivity: 66.4629 cm^3
• Polarizability: 25.89937 Å^3
• Polar Surface Area: 91.28 Å^2