5- (Trifluoromethoxy) picolinonitrile

CAT: 0127-PC1003964-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1003964-01Size:50 mg

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CAS Number

1206978-22-4

MDL Number

MFCD17169840

Purity

95%

Smiles

N#CC1=NC=C(OC(F)(F)F)C=C1

Chemical Information

5-(Trifluoromethoxy)picolinonitrile

CAS Number	1206978-22-4
PubChem CID	68111587
IUPAC Name	5-(trifluoromethoxy)pyridine-2-carbonitrile
Molecular Formula	C7H3F3N2O
Molecular Weight	188.11
XLogP	2.1
Topological Polar Surface Area	45.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

C1=CC(=NC=C1OC(F)(F)F)C#N

InChI

InChI=1S/C7H3F3N2O/c8-7(9,10)13-6-2-1-5(3-11)12-4-6/h1-2,4H

InChIKey

DTRQAIRWABWMJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1206978-22-4

CID: 68111587

Formula: C7H3F3N2O

MW: 188.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.11
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	188.01974721
Monoisotopic Mass	188.01974721
Topological Polar Surface Area	45.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1006344	5- (Ethylsulfonyl) picolinonitrile
OR1052602-01	5- (Benzyloxy) picolinonitrile
OR1054862-01	5- (Dimethylphosphoryl) picolinonitrile
OR1038048-01	5- (Methylamino) picolinonitrile
OR1096799-01	5- (4-methoxyphenyl) picolinonitrile
OR1063592-01	5- (1-Aminoethyl) picolinonitrile
OR1053643-01	5- (Chloromethyl) picolinonitrile hydrochloride
OR1058126-01	5- (Aminomethyl) picolinonitrile dihydrochloride
OR1047968-01	5- (4-Aminophenyl) picolinonitrile
PC201374	5- (4-Fluorophenyl) picolinonitrile

Catalog	Name
TN9598-01	Picolinonitrile
434687-01	5- (Trifluoromethyl) picolinonitrile
GAC80682	5- (Methylamino) picolinonitrile
DGA99399-01	4- (Bromomethyl) picolinonitrile
434604-01	5- (Difluoromethyl) picolinonitrile
TRC-D445610-1G	5-(Difluoromethyl)picolinonitrile
WCA93532-01	4- (Hydroxymethyl) picolinonitrile
429372-01	4- (Benzyloxy) picolinonitrile
422905-01	3- (4-Formylphenyl) picolinonitrile
LYB53566-01	5- (tert-Butyl) picolinonitrile