Methyl 6-methyl-3-nitropyridine-2-carboxylate
Basic information
- CAS
139004-85-6- Standard SMILES
COC(=O)c1nc(C)ccc1[N+](=O)[O-]- InChIKey
AYXHLQANFYMOTP-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- Methyl 6-methyl-3-nitropyridine-2-carboxylate
- IUPAC
- methyl 6-methyl-3-nitropyridine-2-carboxylate
- English name
- 2-Pyridinecarboxylicacid,6-methyl-3-nitro-,methylester(9CI)
- Molecular formula
- C8H8N2O4
- Molecular weight
- 0
Names & synonyms
139004-85-6METHYL 6-METHYL-3-NITROPYRIDINE-2-CARBOXYLATE2-Pyridinecarboxylicacid,6-methyl-3-nitro-,methylester(9CI)
Database identifiers
- CAS
139004-85-6- PubChem CID
- 14932953
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
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Related reactions
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Compound notes
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