Basic information
- CAS
1245648-51-4- Standard SMILES
COc1ccc([N+](=O)[O-])[nH]c1=O- InChIKey
DTCBKUGKCBDPNG-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- 3-Methoxy-6-nitropyridin-2-ol
- IUPAC
- 3-methoxy-6-nitro-1H-pyridin-2-one
- English name
- 3-methoxy-6-nitropyridin-2-ol
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
3-methoxy-6-nitropyridin-2-ol1245648-51-43-METHOXY-6-NITRO-1H-PYRIDIN-2-ONE3-Methoxy-6-nitropyridin-2(1H)-oneMFCD27936852DTXSID30744809SB54190DB-228697CS-0081666D743742(1H)-Pyridinone, 3-methoxy-6-nitro-
Database identifiers
- CAS
1245648-51-4- PubChem CID
- 71303003
- DTXSID
DTXSID30744809
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 374.1 · 374.1±42.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.8 · 5.80±0.10(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
Suppliers5 total
宁波振岳医药科技有限公司19817745290 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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