2-methyl-6-nitropyridine

• ChemBase ID: 75428
• Molecular Formular: C6H6N2O2
• Molecular Mass: 138.12404
• Monoisotopic Mass: 138.04292744
• SMILES: n1c(cccc1C)[N+](=O)[O-]
• Canonical SMILES: Cc1cccc(n1)[N+](=O)[O-]
• InChI: InChI=1S/C6H6N2O2/c1-5-3-2-4-6(7-5)8(9)10/h2-4H,1H3
• InChIKey: DEEYZLKYZZUQPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-nitropyridine
• IUPAC Traditional name: 2-methyl-6-nitropyridine
• Synonyms: 2-Nitro-6-picoline; 2-Methyl-6-nitropyridine 97%; 2-methyl-6-nitropyridine

Database IDs

• CAS Number: 18368-61-1
• MDL Number: MFCD04114203
• PubChem SID: 162040346
• PubChem CID: 298626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4213853
• LogD (pH = 7.4): 1.4213853
• Log P: 1.4213853
• Molar Refractivity: 35.1266 cm^3
• Polarizability: 13.115593 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%