5-Methoxy-N-phenylnicotinamide
Basic information
- CAS
1138443-84-1- Standard SMILES
COc1cncc(C(=O)Nc2ccccc2)c1- InChIKey
JCZHMRPQYHZDCK-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 5-Methoxy-N-phenylnicotinamide
- IUPAC
- 5-methoxy-N-phenylpyridine-3-carboxamide
- English name
- 5-Methoxy-N-phenylnicotinamide
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
5-Methoxy-N-phenylnicotinamide1138443-84-15-methoxy-N-phenylpyridine-3-carboxamideMFCD11857643DTXSID40673838AKOS0158516795-Methoxy-N-phenylnicotinamide, AldrichCPRCS-0441300BRD-K00795761-001-01-7AS-852575-methoxy-N-phenyl-pyridine-3-carboxamideDB-350062
Show more names
Nicotinamide Impurity 1035-Methoxy-N-phenyl-3-pyridinecarboxamide3-Pyridinecarboxamide, 5-methoxy-N-phenyl-
G72452F766287
Database identifiers
- CAS
1138443-84-1- PubChem CID
- 46736751
- DTXSID
DTXSID40673838
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 319.1 · 319.1±27.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 11.8 · 11.80±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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
- wgk
- 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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