2-chloro-N,N,6-trimethyl-3-nitropyridin-4-amine

• ChemBase ID: 806487
• Molecular Formular: C8H10ClN3O2
• Molecular Mass: 215.6369
• Monoisotopic Mass: 215.04615426
• SMILES: n1c(c(c(cc1C)N(C)C)[N+](=O)[O-])Cl
• Canonical SMILES: Cc1cc(N(C)C)c(c(n1)Cl)[N+](=O)[O-]
• InChI: InChI=1S/C8H10ClN3O2/c1-5-4-6(11(2)3)7(12(13)14)8(9)10-5/h4H,1-3H3
• InChIKey: AGVQKMYYFYALCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N,6-trimethyl-3-nitropyridin-4-amine
• IUPAC Traditional name: 2-chloro-N,N,6-trimethyl-3-nitropyridin-4-amine
• Synonyms: 2-CHLORO-N,N,6-TRIMETHYL-3-NITROPYRIDIN-4-AMINE

Database IDs

• CAS Number: 1196153-08-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7591206
• LogD (pH = 7.4): 1.7591926
• Log P: 1.7591934
• Molar Refractivity: 55.1078 cm^3
• Polarizability: 19.954136 Å^3
• Polar Surface Area: 59.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%