2-Furaldehyde isonicotinoylhydrazone
Basic information
- CAS
6956-53-2- Standard SMILES
O=C(NN=Cc1ccco1)c1ccncc1- InChIKey
OOGABHAPRCRJSP-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Furaldehyde isonicotinoylhydrazone
- IUPAC
- N-(furan-2-ylmethylideneamino)pyridine-4-carboxamide
- English name
- 4-Pyridinecarboxylicacid, 2-(2-furanylmethylene)hydrazide
- Molecular formula
- C11H9N3O2
- Molecular weight
- 215.21
Names & synonyms
2-furaldehyde isonicotinoylhydrazoneRefChem:9098472-FurCHO isonicotinoylhydrazoneN-(furan-2-ylmethylideneamino)pyridine-4-carboxamideN'-[(furan-2-yl)methylidene]pyridine-4-carbohydrazideCBDivE_001641SCHEMBL6055366DTXSID001305097HMS2445H17AKOS034405113ISONICOTINICFURFURYLIDENEHYDRAZIDE4-Pyridinecarboxylicacid, 2-(2-furanylmethylene)hydrazide
Database identifiers
- CAS
6956-53-2- PubChem CID
- 23388
- DTXSID
DTXSID001305097
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 220.9 · 220.9-221.2 °C
- Density
- 1.262 · 1.262±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.745 · 10.745±0.46(predicted)
- FDA UNII
- 977 S5K5PYW · 977S5K5PYW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- 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
- H302-H335-H319-H315
- 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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