Basic information
- CAS
3323-26-0- Standard SMILES
O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1- InChIKey
SNBCSKCONKUZBA-UHFFFAOYSA-N- Molecular formula
- C13H9N3O2
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.06947654
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
- IUPAC
- 2-(4-nitrophenyl)imidazo[1,2-a]pyridine
Names & synonyms
2-(4-Nitrophenyl)imidazo[1,2-a]pyridine3323-26-0Imidazo(1,2-a)pyridine, 2-(p-nitrophenyl)-DTXSID901868822-(4-Nitrophenyl)imidazo(1,2-a)pyridineRefChem:1061332DTXCID301093732-(4-Nitro-phenyl)-imidazo[1,2-a]pyridineMFCD002763412-(p-Nitrophenyl)imidazo(1,2-a)pyridine5311-58-0Imidazo[1,2-a]pyridine, 2-(4-nitrophenyl)-
Show more names
8-(4-nitrophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene2-(p-nitrophenyl)imidazo[1,2-a]pyridineBRN 02234472-(4-nitrophenyl)-4-hydroimidazo[1,2-a]pyridine2-(4-NITRO-PHENYL)-IMIDAZO(1,2-A)PYRIDINEMaybridge1_006126Cambridge id 5311580Oprea1_338912
Database identifiers
- CAS
3323-26-0- PubChem CID
- 201134
- DTXSID
DTXSID90186882- ChEMBL
CHEMBL1868594- EC Number
- 159-307-4
- Nikkaji
- J40.970G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
5 records
Compound notes
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