4-Cyano-3,5-dichloro-2,6-difluoropyridine

HCID 13985165

Notes Reactions

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Basic information

Standard SMILES: N#Cc1c(Cl)c(F)nc(F)c1Cl
InChIKey: XLSYRRHPEWFLAU-UHFFFAOYSA-N
Molecular formula: C6Cl2F2N2
Average molar mass: 208.98 g/mol

Names & identifiers

Preferred name: 4-Cyano-3,5-dichloro-2,6-difluoropyridine
IUPAC: 3,5-dichloro-2,6-difluoropyridine-4-carbonitrile

Names & synonyms

17723-26-14-cyano-3,5-dichloro-2,6-difluoropyridine3,5-dichloro-2,6-difluoroisonicotinonitrile3,5-dichloro-2,6-difluoropyridine-4-carbonitrileSCHEMBL10756272XLSYRRHPEWFLAU-UHFFFAOYSA-N

Database identifiers

PubChem CID: 13985165

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 203

Related reactions

4 records

New reaction record

HRID 256165As productuspto-grants-1987_10

HRID 256166As reactantuspto-grants-1987_10

HRID 815512As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2344462As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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