4-Morpholinopicolinonitrile

CAT: 0127-OR1034421-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1034421-02Size:5 g

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CAS Number

127680-90-4

Purity

98%

Smiles

N#CC1=NC=CC(N2CCOCC2)=C1

Chemical Information

2-Pyridinecarbonitrile, 4-(4-morpholinyl)-

CAS Number	127680-90-4
PubChem CID	14640848
IUPAC Name	4-morpholin-4-ylpyridine-2-carbonitrile
Molecular Formula	C10H11N3O
Molecular Weight	189.21
XLogP	0.7
Topological Polar Surface Area	49.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	229

SMILES

C1COCCN1C2=CC(=NC=C2)C#N

InChI

InChI=1S/C10H11N3O/c11-8-9-7-10(1-2-12-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2

InChIKey

XXVRMRBHYBYEJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127680-90-4

CID: 14640848

Formula: C10H11N3O

MW: 189.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.21
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	189.090211983
Monoisotopic Mass	189.090211983
Topological Polar Surface Area	49.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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
OR510078	5-Bromo-2-morpholinonicotinonitrile
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid

Catalog	Name
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline