4,6-Dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
5407-93-2- Standard SMILES
Cc1[nH]c(=O)c(C#N)c(C)c1[N+](=O)[O-]- InChIKey
BRVIZBAZAJBTFY-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.04874109
Names & identifiers
- Preferred name
- 4,6-Dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
- English name
- 2-hydroxy-4,6-dimethyl-5-nitronicotinonitrile
- Molecular formula
- C8H7N3O3
- Molecular weight
- 193.16
Names & synonyms
5407-93-24,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile2-hydroxy-4,6-dimethyl-5-nitronicotinonitrile4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carbonitrileMFCD00052653MLS0007134602-hydroxy-4,6-dimethyl-5-nitropyridine-3-carbonitrileSMR0002729414,6-dimethyl-5-nitro-2-oxohydropyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-5-nitro-2-oxo-4,6-Dimethyl-2-hydroxy-5-nitronicotinonitrileNSC10737
Show more names
2-hydroxy-4,6-dimethyl-5-nitro-nicotinonitrileOprea1_032983cid_223265CHEMBL1869320SCHEMBL16334999SCHEMBL25392442SCHEMBL30599500BDBM73624
Database identifiers
- CAS
5407-93-2- PubChem CID
- 223265
- DTXSID
DTXSID90968908- ChEMBL
CHEMBL1869320
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility27.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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