2,5-Dichloro-4,6-dimethylnicotinamide
Basic information
- CAS
175204-44-1- Standard SMILES
Cc1nc(Cl)c(C(N)=O)c(C)c1Cl- InChIKey
IHXGELAZSSLGOE-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2N2O
- Average molar mass
- 219.06 g/mol
- Monoisotopic mass
- 218.0013683
Names & identifiers
- Preferred name
- 2,5-Dichloro-4,6-dimethylnicotinamide
- IUPAC
- 2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
- English name
- 2,5-Dichloro-4,6-dimethylnicotinamide
- Molecular formula
- C8H8Cl2N2O
- Molecular weight
- 219.07
Names & synonyms
2,5-dichloro-4,6-dimethylnicotinamide175204-44-1DTXSID10319216RefChem:247342DTXCID702703392,5-dichloro-4,6-dimethylpyridine-3-carboxamideOpicapone Impurity 5Opicapone Impurity 01MFCD00052635NSC3419743-Pyridinecarboxamide, 2,5-dichloro-4,6-dimethyl-2,5-Dichloro-4,6-dimethyl-nicotinamide
Show more names
Opicapone Impurity 6
NSC-3419742,5-Dichloro-4,6-dimethyl-3-pyridinecarboxamide2,5-dichloro-4,6-dimethyl-pyridine-3-carboxamideOpicapone ImpurityX8A4AT6CLPSCHEMBL21906012IHXGELAZSSLGOE-UHFFFAOYSA-NSTK765511
Database identifiers
- CAS
175204-44-1- PubChem CID
- 334853
- DTXSID
DTXSID10319216- UNII
- X8A4AT6CLP
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 255.3 · 255.3±40.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 13.83 · 13.83±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…