5- (Dimethylphosphoryl) picolinonitrile

CAT: 0127-OR1054862-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1054862-01Size:50 mg

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CAS Number

2551114-38-4

MDL Number

MFCD32874649

Purity

97%

Smiles

N#CC1=NC=C(C=C1)P(C)(C)=O

Chemical Information

5-(Dimethylphosphoryl)picolinonitrile

CAS Number	2551114-38-4
PubChem CID	154809671
IUPAC Name	5-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=CN=C(C=C1)C#N

InChI

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

InChIKey

RLJFZCLFWIYHAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2551114-38-4

CID: 154809671

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
OR1069203-01	3- (Dimethylphosphoryl) picolinonitrile
OR1006344	5- (Ethylsulfonyl) picolinonitrile
OR1052602-01	5- (Benzyloxy) picolinonitrile
PC1003964-01	5- (Trifluoromethoxy) picolinonitrile
OR1038048-01	5- (Methylamino) picolinonitrile
OR1069180-01	5- (Dimethylphosphoryl) nicotinonitrile
OR1096799-01	5- (4-methoxyphenyl) picolinonitrile
OR1063592-01	5- (1-Aminoethyl) picolinonitrile
OR1053643-01	5- (Chloromethyl) picolinonitrile hydrochloride

Catalog	Name
TN9598-01	Picolinonitrile
KAA31108-01	(Dimethylphosphoryl) benzene
GTR19267869-01	2- (DiMethylphosphoryl) benzenamine
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
TBW01431	2-(diMethylphosphoryl)aniline
XXB95347	2- (dimethylphosphoryl) aniline