Basic information
- CAS
3150-53-6- Standard SMILES
N#Cc1ccc([N+](=O)[O-])n1CCO- InChIKey
LMXHFXAFDMNKIM-UHFFFAOYSA-N- Molecular formula
- C7H7N3O3
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.04874109
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-5-nitropyrrole-2-carbonitrile
- IUPAC
- 1-(2-hydroxyethyl)-5-nitropyrrole-2-carbonitrile
- English name
- 1-(2-Hydroxyethyl)-5-nitro-1H-pyrrole-2-carbonitrile
- Molecular formula
- C7H7N3O3
- Molecular weight
- 181.15
Names & synonyms
HCNP1-(2-Hydroxyethyl)-5-nitropyrrole-2-carbonitrile3150-53-61-(2-Hydroxyethyl)-5-nitro-1H-pyrrole-2-carbonitrile1H-Pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro-NSC-29853377SW8M7CZEPyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro-RefChem:10539811-(2-Hydroxyethyl)-2-cyano-5-nitropyrrole1H-Pyrrole-2-carbonitrile,1-(2-hydroxyethyl)-5-nitro-NP 1
Show more names
1H-Pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro- (9ci)
NSC 298533SCHEMBL29429106DTXSID00185402NSC298533DS-003033
Database identifiers
- CAS
3150-53-6- PubChem CID
- 76609
- DTXSID
DTXSID00185402- UNII
- 77SW8M7CZE
- Nikkaji
- J2.175J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
LogP0.6
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 77 SW8M7CZE · 77SW8M7CZE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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