N-((4-nitrophenyl)methylideneamino)pyridine-4-carboxamide
Basic information
- CAS
4813-07-4- Standard SMILES
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccncc1- InChIKey
HLPMEKJZGSAPBE-UHFFFAOYSA-N- Molecular formula
- C13H10N4O3
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.07529019
Overview
See also: Isonicotinic acid (4-nitro-benzylidene)-hydrazide (annotation moved to).
Names & identifiers
- Preferred name
- N-((4-nitrophenyl)methylideneamino)pyridine-4-carboxamide
- IUPAC
- N-[(4-nitrophenyl)methylideneamino]pyridine-4-carboxamide
- English name
- Isoniazid analog
- Molecular formula
- C13H10N4O3
- Molecular weight
- 270.24
Names & synonyms
4813-07-44-Nitrobenzaldehyde isonicotinoyl hydrazoneNSC 50112N-((4-nitrophenyl)methylideneamino)pyridine-4-carboxamideN-[(4-nitrophenyl)methylideneamino]pyridine-4-carboxamideN'-[(4-NITROPHENYL)METHYLIDENE]PYRIDINE-4-CARBOHYDRAZIDENSC50112MLS002667329CBDivE_001643SCHEMBL2984430CHEMBL1877086DTXSID10197430
Show more names
Isoniazid analogISONICOTINIC ACID (4-NITRO-BENZYLIDENE)-HYDRAZIDE
HMS3079O10p-nitrobenzaldehyde-isonicotinoylhydrazoneSMR001557096N-[(4-nitrophenyl)methyleneamino]pyridine-4-carboxamide
Database identifiers
- CAS
4813-07-4- PubChem CID
- 242006
- DTXSID
DTXSID10197430- ChEMBL
CHEMBL1877086
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 255 · 255-257 °C(Solvent: Ethanol)
- Density
- 1.34 · 1.340±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.448 · 10.448±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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