4-Fluoro-2-(2-methyl-2H-tetrazol-5-yl)-benzonitrile

HCID 21069887

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1nnc(-c2cc(F)ccc2C#N)n1
InChIKey: ZNWYOFXBBKTYNT-UHFFFAOYSA-N
Molecular formula: C9H6FN5
Average molar mass: 203.18 g/mol

Names & identifiers

Preferred name: 4-Fluoro-2-(2-methyl-2H-tetrazol-5-yl)-benzonitrile
IUPAC: 4-fluoro-2-(2-methyltetrazol-5-yl)benzonitrile

Names & synonyms

SCHEMBL2525799ZNWYOFXBBKTYNT-UHFFFAOYSA-N4-Fluoro-2-(2-methyl-2H-tetrazol-5-yl)-benzonitrile4-Fluoro-2-(2-methyl-2H-tetrazole-5-yl)-benzonitrile

Database identifiers

PubChem CID: 21069887

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 275

Related reactions

12 records

New reaction record

HRID 98979As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 192867As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 348133As productuspto-grants-2007_02

HRID 348134As reactantuspto-grants-2007_02

HRID 1372238As productuspto-grants-2007_01

HRID 1372239As reactantuspto-grants-2007_01

HRID 1664131As productuspto-grants-2011_10

HRID 1664132As reactantuspto-grants-2011_10

Compound notes

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