Basic information
- CAS
827342-90-5- Standard SMILES
N#Cc1ccc(Cl)[nH]1- InChIKey
IUTIGODGLLFLGH-UHFFFAOYSA-N- Molecular formula
- C5H3ClN2
- Average molar mass
- 126.54 g/mol
- Monoisotopic mass
- 125.9984758
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carbonitrile, 5-chloro-
- IUPAC
- 5-chloro-1H-pyrrole-2-carbonitrile
Names & synonyms
5-chloro-1H-pyrrole-2-carbonitrile827342-90-51H-Pyrrole-2-carbonitrile, 5-chloro-SCHEMBL8822902IUTIGODGLLFLGH-UHFFFAOYSA-DTXSID10462539InChI=1/C5H3ClN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
Database identifiers
- CAS
827342-90-5- PubChem CID
- 11332467
- DTXSID
DTXSID10462539
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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