Basic information
- CAS
89977-22-0- Standard SMILES
Cc1[nH]c(=O)c(C(=O)O)c(C)c1[N+](=O)[O-]- InChIKey
GJSAGPKAERRLKB-UHFFFAOYSA-N- Molecular formula
- C8H8N2O5
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.04332136
Names & identifiers
- Preferred name
- ST038660
- IUPAC
- 4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carboxylic acid
- English name
- 2-Hydroxy-4,6-diMethyl-5-nitronicotinic acid
- Molecular formula
- C8H8N2O5
- Molecular weight
- 212.16
Names & synonyms
89977-22-0ST038660DTXSID90289564RefChem:381351DTXCID302407104,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylic acid4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carboxylic acid2-HYDROXY-4,6-DIMETHYL-5-NITROPYRIDINE-3-CARBOXYLIC ACID2-hydroxy-4,6-dimethyl-5-nitronicotinic acidNSC619682-hydroxy-4,6-dimethyl-5-nitro-nicotinic acidNCIOpen2_003738
Show more names
3-Pyridinecarboxylic acid, 1,2-dihydro-4,6-dimethyl-5-nitro-2-oxo-
GJSAGPKAERRLKB-UHFFFAOYSA-NMFCD03017820NSC-61968STK677968AKOS002663760AKOS005595035VS-12709DB-182253
Database identifiers
- CAS
89977-22-0- PubChem CID
- 247441
- DTXSID
DTXSID90289564
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 368.4 · 368.4±42.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 1.72 · 1.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
石家庄靖康科技有限公司13933818572 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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