N-(5-Amino-2-chlorophenyl)isonicotinamide
Basic information
- CAS
1082186-72-8- Standard SMILES
Nc1ccc(Cl)c(NC(=O)c2ccncc2)c1- InChIKey
UONFQZADUQNRJT-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.0512396
Names & identifiers
- Preferred name
- N-(5-Amino-2-chlorophenyl)isonicotinamide
- IUPAC
- N-(5-amino-2-chlorophenyl)pyridine-4-carboxamide
- English name
- N-(5-Amino-2-chlorophenyl)isonicotinamide
- Molecular formula
- C12H10ClN3O
- Molecular weight
- 247.68
Names & synonyms
N-(5-AMINO-2-CHLOROPHENYL)ISONICOTINAMIDE1082186-72-8N-(5-amino-2-chlorophenyl)pyridine-4-carboxamideAKOS005846723Naproxen Impurity 334-Pyridinecarboxamide, N-(5-amino-2-chlorophenyl)-
Database identifiers
- CAS
1082186-72-8- PubChem CID
- 28867220
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 353.4 · 353.4±37.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- pka
- 10.62 · 10.62±0.70(Predicted)
- 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
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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