2-Chloro-N-(2,4-dimethoxyphenyl)nicotinamide
Basic information
- CAS
158094-17-8- Standard SMILES
COc1ccc(NC(=O)c2cccnc2Cl)c(OC)c1- InChIKey
FQALSYKXWIIZBM-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O3
- Average molar mass
- 292.72 g/mol
- Monoisotopic mass
- 292.06147
Names & identifiers
- Preferred name
- 2-Chloro-N-(2,4-dimethoxyphenyl)nicotinamide
- IUPAC
- 2-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
- English name
- CHEMBRDG-BB 5537391
- Molecular formula
- C14H13ClN2O3
- Molecular weight
- 292.72
Names & synonyms
158094-17-82-CHLORO-N-(2,4-DIMETHOXYPHENYL)NICOTINAMIDE2-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamideMFCD00849820Oprea1_706741SCHEMBL148801133-Pyridinecarboxamide, 2-chloro-N-(2,4-dimethoxyphenyl)-DTXSID20351162STK412092AKOS000152213BS-35741ST004099
Show more names
CHEMBRDG-BB 55373912-chloro-N-(2,4-dimethoxyphenyl)nicotinamide(SALTDATA: FREE)
DB-122120EU-0002868AB00087939-01F314236SR-01000412445SR-01000412445-1N-(2,4-dimethoxyphenyl)(2-chloro(3-pyridyl))carboxamide
Database identifiers
- CAS
158094-17-8- PubChem CID
- 692932
- DTXSID
DTXSID20351162
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 386.7 · 386.7±42.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.70(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
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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