3-(6-Chloro-pyrazin-2-yloxymethyl)-benzonitrile

HCID 22481973
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Basic information

Standard SMILES
N#Cc1cccc(COc2cncc(Cl)n2)c1
InChIKey
LFVNAYZMFILRJV-UHFFFAOYSA-N
Molecular formula
C12H8ClN3O
Average molar mass
245.66 g/mol
Monoisotopic mass
245.0355896

Names & identifiers

Preferred name
3-(6-Chloro-pyrazin-2-yloxymethyl)-benzonitrile
IUPAC
3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile

Names & synonyms

SCHEMBL6285396LFVNAYZMFILRJV-UHFFFAOYSA-NDB-3784493-(6-Chloro-pyrazin-2-yloxymethyl)-benzonitrile3-[[(6-chloro-2-pyrazinyl)oxy]methyl]Benzonitrile479684-72-5

Database identifiers

PubChem CID
22481973

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
58.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17

Related reactions

6 records
New reaction record

Linked notes

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