2-fluoro-4-(1H-1,2,4-triazol-1-yl)benzonitrile

HCID 21069871
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Basic information

Standard SMILES
N#Cc1ccc(-n2cncn2)cc1F
InChIKey
ZOUAFGSOWUANOT-UHFFFAOYSA-N
Molecular formula
C9H5FN4
Average molar mass
188.16 g/mol

Names & identifiers

Preferred name
2-fluoro-4-(1H-1,2,4-triazol-1-yl)benzonitrile
IUPAC
2-fluoro-4-(1,2,4-triazol-1-yl)benzonitrile

Names & synonyms

2-fluoro-4-(1H-1,2,4-triazol-1-yl)benzonitrile869591-70-8SCHEMBL2075610ZOUAFGSOWUANOT-UHFFFAOYSA-NAKOS0159666452-fluoro-4-(1H-1,2,4- triazol-1-yl)benzonitrile4-(1H-1,2,4-Triazol-1-yl)-2-fluorobenzonitrile

Database identifiers

PubChem CID
21069871

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

4 records
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Compound notes

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