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3-Phenoxy-5-(trifluoromethyl)picolinonitrile

HCID 67485286
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ncc(C(F)(F)F)cc1Oc1ccccc1
InChIKey
LMVZMYGDKFGEHS-UHFFFAOYSA-N
Molecular formula
C13H7F3N2O
Average molar mass
264.2 g/mol
Monoisotopic mass
264.05104734

Names & identifiers

Preferred name
3-Phenoxy-5-(trifluoromethyl)picolinonitrile
IUPAC
3-phenoxy-5-(trifluoromethyl)pyridine-2-carbonitrile

Names & synonyms

1065607-70-63-phenoxy-5-(trifluoromethyl)picolinonitrile3-phenoxy-5-(trifluoromethyl)pyridine-2-carbonitrile2-Cyano-3-phenoxy-5-(trifluoromethyl)pyridineMFCD259705803-Phenoxy-5-trifluoromethyl-pyridine-2-carbonitrileSCHEMBL2654740AKOS025141956CS-10702CS-0449824F511293

Database identifiers

PubChem CID
67485286

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
45.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
344

Related reactions

4 records
New reaction record
HRID 111295 reaction equation
HRID 111295As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1119492 reaction equation
HRID 1119492As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1809597 reaction equation
HRID 1809597As productuspto-grants-2013_01
HRID 1809598 reaction equation
HRID 1809598As reactantuspto-grants-2013_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes