1- (Pyridin-2-yl) cyclohexanecarbonitrile

CAT: 0127-OR318060-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR318060-01Size:250 mg

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CAS Number

204067-32-3

MDL Number

MFCD11052314

Purity

97%

Smiles

N#CC1(CCCCC1)c2ccccn2

Chemical Information

1-(Pyridin-2-yl)cyclohexanecarbonitrile

CAS Number	204067-32-3
PubChem CID	21255288
IUPAC Name	1-pyridin-2-ylcyclohexane-1-carbonitrile
Molecular Formula	C12H14N2
Molecular Weight	186.25
XLogP	2.5
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	232

SMILES

C1CCC(CC1)(C#N)C2=CC=CC=N2

InChI

InChI=1S/C12H14N2/c13-10-12(7-3-1-4-8-12)11-6-2-5-9-14-11/h2,5-6,9H,1,3-4,7-8H2

InChIKey

JJBRLQGIVCSMJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 204067-32-3

CID: 21255288

Formula: C12H14N2

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	186.115698455
Monoisotopic Mass	186.115698455
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	232
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
OR27707-01	Cyclohexanecarbonitrile
OR1083995-01	1- (Cyclohexylthio) cyclohexanecarbonitrile
OR1093643-01	1-ethyl-Cyclohexanecarbonitrile
OR27708-01	1- (Chloromethyl) cyclohexanecarbonitrile
OR315511-01	2- (Pyridin-2-yl) pyridine 1-oxide
OR1093061-01	1- (Ethylthio) cyclohexanecarbonitrile
OR1092289-01	1-acetyl-Cyclohexanecarbonitrile
OR1079576-01	1- (Cyanomethyl) Cyclohexanecarbonitrile
OR953808-01	1- (Methylamino) cyclohexanecarbonitrile
OR302707	1- (Pyridin-2-yl) cyclopropanamine

Catalog	Name
sc-302582	1- (Pyridin-2-yl) cyclohexanecarbonitrile
sc-286827	Trans-2-Hydroxy-cyclohexanecarbonitrile
sc-333563A	1-[4- (chloroacetyl) piperazin-1-yl]cyclohexanecarbonitrile
FDA13911-01	4-Oxo-1- (2-pyridinyl) cyclohexanecarbonitrile
sc-332142	1- (2-Chloro-4-fluoropenyl) -cyclohexanecarbonitrile
sc-272795	1- ({2-[ (1-cyanocyclohexyl) amino]ethyl}amino) cyclohexanecarbonitrile
ZQB89694	2,4-dioxo-6-phenyl-3- ((pyrimidin-2-ylamino) methylene) cyclohexanecarbonitrile
445289-01	Cyclohexanecarbonitrile
CSB53399-01	[6- (Pyridin-2-yl) pyridin-2-yl]methanamine dihydrochloride
WFA58187-01	[6- (Pyridin-2-yl) pyridin-3-yl]methanol