N-methyl-2-(methylamino)-5-nitronicotinamide
Basic information
- CAS
142168-89-6- Standard SMILES
CNC(=O)c1cc([N+](=O)[O-])cnc1NC- InChIKey
PACYUVJDLGFPOB-UHFFFAOYSA-N- Molecular formula
- C8H10N4O3
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.07529019
Names & identifiers
- Preferred name
- N-methyl-2-(methylamino)-5-nitronicotinamide
- IUPAC
- N-methyl-2-(methylamino)-5-nitropyridine-3-carboxamide
- English name
- 5-Nitro-N-methyl-2-(methylamino)pyridine-3-carboxamide
- Molecular formula
- C8H10N4O3
- Molecular weight
- 210.19
Names & synonyms
N-methyl-2-(methylamino)-5-nitronicotinamide142168-89-6N-methyl-2-(methylamino)-5-nitropyridine-3-carboxamideMFCD02091150NSC3252905-nitro-N-methyl-2-(methylamino)pyridine-3-carboxamideDTXSID30318049SBB094320AKOS015851023DE-0717NSC-325290CS-0446030
Show more names
3-Pyridinecarboxamide, N-methyl-2-(methylamino)-5-nitro-
AB-323/25048257N-methyl-2-(methylamino)-5-nitro-pyridine-3-carboxamideN-methyl[2-(methylamino)-5-nitro(3-pyridyl)]carboxamide
Database identifiers
- CAS
142168-89-6- PubChem CID
- 331597
- DTXSID
DTXSID30318049
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 399.4 · 399.4±42.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 13.02 · 13.02±0.46(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…