3- (Dimethylphosphoryl) picolinonitrile

CAT: 0127-OR1069203-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1069203-01Size:50 mg

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CAS Number

2551117-29-2

MDL Number

MFCD32874912

Purity

97%

Smiles

N#CC1=NC=CC=C1P(C)(C)=O

Chemical Information

3-(Dimethylphosphoryl)picolinonitrile

CAS Number	2551117-29-2
PubChem CID	155822358
IUPAC Name	3-dimethylphosphorylpyridine-2-carbonitrile
Molecular Formula	C8H9N2OP
Molecular Weight	180.14
XLogP	-0.1
Topological Polar Surface Area	53.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	249

SMILES

CP(=O)(C)C1=C(N=CC=C1)C#N

InChI

InChI=1S/C8H9N2OP/c1-12(2,11)8-4-3-5-10-7(8)6-9/h3-5H,1-2H3

InChIKey

SFNZISMPSNOOAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2551117-29-2

CID: 155822358

Formula: C8H9N2OP

MW: 180.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.14
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.045249913
Monoisotopic Mass	180.045249913
Topological Polar Surface Area	53.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	249
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
OR1040848-01	4- (Dimethylphosphoryl) picolinonitrile
OR1054862-01	5- (Dimethylphosphoryl) picolinonitrile
OR1053073-01	3- (Methylthio) picolinonitrile
OR1037810-01	3- (Dibromomethyl) picolinonitrile
OR1047504-01	3- (Dimethylphosphoryl) benzonitrile
OR1039396-01	3- (3-Chlorophenethyl) picolinonitrile
OR1082413	3- (4-formylphenyl) picolinonitrile
OR1053735-01	3- (tert-Butyl) picolinonitrile
PC1004995-01	3-Bromo-6- (trifluoromethyl) picolinonitrile
OR1048889-01	3- (2- (Dimethylamino) vinyl) picolinonitrile

Catalog	Name
TN9598-01	Picolinonitrile
KAA31108-01	(Dimethylphosphoryl) benzene
GTR19267869-01	2- (DiMethylphosphoryl) benzenamine
434687-01	5- (Trifluoromethyl) picolinonitrile
TRC-D445610-1G	5-(Difluoromethyl)picolinonitrile
GAC80682	5- (Methylamino) picolinonitrile
DGA99399-01	4- (Bromomethyl) picolinonitrile
434604-01	5- (Difluoromethyl) picolinonitrile
TBW01431	2-(diMethylphosphoryl)aniline
XXB95347	2- (dimethylphosphoryl) aniline