6-Iodo-pyrazine-2-carbonitrile

Substructure search Find similar structures

Basic information

CAS: 1286743-81-4
Standard SMILES: N#Cc1cncc(I)n1
InChIKey: RVLKIVDWWONONH-UHFFFAOYSA-N
Molecular formula: C5H2IN3
Average molar mass: 230.99 g/mol
Monoisotopic mass: 230.92934

Names & identifiers

Preferred name: 6-Iodo-pyrazine-2-carbonitrile
IUPAC: 6-iodopyrazine-2-carbonitrile

Names & synonyms

6-Iodo-pyrazine-2-carbonitrile6-Iodopyrazine-2-carbonitrile1286743-81-4MFCD233824306-Iodo-2-pyrazinecarbonitrileSCHEMBL21664084DTXSID201306934AKOS017344413

Database identifiers

CAS: 1286743-81-4
PubChem CID: 75530174
DTXSID: DTXSID201306934

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 49.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 138

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…