8-Nitroimidazo[1,2-a]pyridine
Basic information
- CAS
52310-46-0- Standard SMILES
O=[N+]([O-])c1cccn2ccnc12- InChIKey
FXGFBWQPMINBNG-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- 8-Nitroimidazo[1,2-a]pyridine
- IUPAC
- 8-nitroimidazo[1,2-a]pyridine
- English name
- 8-Nitroimidazo[1,2-a]pyridine
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
8-nitroimidazo[1,2-a]pyridine52310-46-0MFCD080566748-nitro-Imidazo[1,2-a]pyridine8-Nitro-imidazo(1,2-a)pyridineDTXSID60344316imidazo[1,2-a]pyridine, 8-nitro-AKOS005071382PB30990SY278902CS-0053903P10538
Show more names
EN300-16153848Z-0801FT-0680705SCHEMBL29684098ALBB-026569SBB0564178-nitro-4-hydroimidazo[1,2-a]pyridineDB-071510
Database identifiers
- CAS
52310-46-0- PubChem CID
- 595902
- DTXSID
DTXSID60344316
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 188 · 188-190°
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 1.42 · 1.42±0.50(Predicted)
- Appearance
- Light green to green Solid
- InChI
- InChI=1S/C7H5N3O2/c11-10(12)6-2-1-4-9-5-3-8-7(6)9/h1-5H
- InChIKey
- FXGFBWQPMINBNG-UHFFFAOYSA-N
- SMILES
- C12=NC=CN1C=CC=C2[N+]([O-])=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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