2-Morpholin-4-ylisonicotinonitrile

CAT: 0127-OR111385Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR111385Size:1 g

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CAS Number

127680-91-5

MDL Number

MFCD09934756

Purity

=95%

Smiles

N#Cc1ccnc(c1)N2CCOCC2

Chemical Information

2-Morpholinoisonicotinonitrile

CAS Number	127680-91-5
PubChem CID	14640856
IUPAC Name	2-morpholin-4-ylpyridine-4-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=NC=CC(=C2)C#N

InChI

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

InChIKey

ZKBSABVDSSVALF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127680-91-5

CID: 14640856

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
OR1003749-01	2-Piperazin-1-ylisonicotinonitrile
OR72085-01	2-Morpholin-4-ylacetohydrazide
OR85502-01	2- (Morpholin-4-yl) -5- (morpholine-4-sulfonyl) aniline
OR110070	2-Morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
OR110540	2-Methyl-4-morpholin-4-ylaniline
OR8138	2- (Morpholin-4-yl) benzaldehyde
OR21174	2- (Morpholin-4-yl) aniline
OR14940	2- (Morpholin-4-ylsulphonyl) benzaldehyde
OR5922-01	2- (Morpholin-4-ylmethyl) aniline
OR1052565-01	2-Morpholin-4-ylmethylbenzoic acid

Catalog	Name
BVA37856-01	2-Thien-2-ylisonicotinonitrile
FMA38105-01	2-Piperazin-1-ylisonicotinonitrile
GTR19252654-01	2-Pyrrolidin-1-ylisonicotinonitrile
GTR19252473-01	2-Piperidin-1-ylisonicotinonitrile
sc-288254	2-morpholin-4-ylnicotinonitrile
sc-275062	2-morpholin-4-ylethanethiol
AT MA 00I2-01	Morpholin-4-yl- (4-morpholin-4-yl-2-pyridinyl) methanone
sc-343099A	2-morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
sc-273895	2- (4-methoxyphenyl) -2-morpholin-4-ylethanamine
sc-277553	4-morpholin-4-ylbutan-2-one