5-Chloro-3-methoxy-1H-pyridin-2-one
Basic information
- CAS
94135-59-8- Standard SMILES
COc1cc(Cl)c[nH]c1=O- InChIKey
YERTYULGRITLAF-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2
- Average molar mass
- 159.57 g/mol
- Monoisotopic mass
- 159.0087061
Names & identifiers
- Preferred name
- 5-Chloro-3-methoxy-1H-pyridin-2-one
- IUPAC
- 5-chloro-3-methoxy-1H-pyridin-2-one
- English name
- 5-chloro-3-methoxy-1H-pyridin-2-one
- Molecular formula
- C6H6ClNO2
- Molecular weight
- 159.57
Names & synonyms
94135-59-85-Chloro-3-methoxy-1H-pyridin-2-oneEINECS 302-928-4DTXSID002407625-Chloro-3-methoxy-2(1H)-pyridinoneRefChem:534712DTXCID30163253302-928-45-Chloro-3-methoxypyridin-2-olMFCD18415703YERTYULGRITLAF-UHFFFAOYSA-N5-Chloro-3-methoxypyridin-2(1H)-one
Show more names
5-Chloro-3-methoxy-2(1H)-pyridone2(1H)-Pyridinone, 5-chloro-3-methoxy-
SB53094BS-24863DB-413872CS-0458863NS00040145
Database identifiers
- CAS
94135-59-8- PubChem CID
- 3023720
- DTXSID
DTXSID00240762- EC Number
- 302-928-4
- Nikkaji
- J368.312E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 316 · 316.0±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 10.43 · 10.43±0.10(Predicted)
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2933399990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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