4- (4-Aminophenoxy) picolinonitrile

CAT: 0127-OR1061159-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061159-01Size:100 mg

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CAS Number

630125-69-8

MDL Number

MFCD08447089

Purity

98%

Smiles

N#CC1=NC=CC(OC2=CC=C(N)C=C2)=C1

Chemical Information

4-(4-Aminophenoxy)pyridine-2-carbonitrile

CAS Number	630125-69-8
PubChem CID	53399142
IUPAC Name	4-(4-aminophenoxy)pyridine-2-carbonitrile
Molecular Formula	C12H9N3O
Molecular Weight	211.22
XLogP	1.8
Topological Polar Surface Area	71.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	265

SMILES

C1=CC(=CC=C1N)OC2=CC(=NC=C2)C#N

InChI

InChI=1S/C12H9N3O/c13-8-10-7-12(5-6-15-10)16-11-3-1-9(14)2-4-11/h1-7H,14H2

InChIKey

GRAZISXKEOERSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 630125-69-8

CID: 53399142

Formula: C12H9N3O

MW: 211.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.22
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	211.074561919
Monoisotopic Mass	211.074561919
Topological Polar Surface Area	71.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	265
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
OR1062796	4- (Benzyloxy) picolinonitrile
OR1040848-01	4- (Dimethylphosphoryl) picolinonitrile
OR1096799-01	5- (4-methoxyphenyl) picolinonitrile
OR1082413	3- (4-formylphenyl) picolinonitrile
OR1047968-01	5- (4-Aminophenyl) picolinonitrile
PC201374	5- (4-Fluorophenyl) picolinonitrile
OR91446-01	4- (4-Aminophenoxy) benzonitrile
OR95761-01	4- (4-Aminophenoxy) phthalonitrile
OR917039-01	4- (4-Aminophenoxy) pyridine
PC1001865-01	5-Chloro-4- (trifluoromethyl) picolinonitrile

Catalog	Name
DGA99399-01	4- (Bromomethyl) picolinonitrile
WCA93532-01	4- (Hydroxymethyl) picolinonitrile
429372-01	4- (Benzyloxy) picolinonitrile
422905-01	3- (4-Formylphenyl) picolinonitrile
GWB54225-01	6-Chloro-4- (trifluoromethyl) picolinonitrile
AR-T02663-01	4- (5-phenyl-1,3,4-oxadiazol-2-yl) picolinonitrile
AR-T02682-01	6- (5- (pyridin-4-yl) -1H-1,2,4-triazol-3-yl) picolinonitrile
YND03234-01	6-Chloro-4- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) picolinonitrile
425025-01	3-Chloro-5- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) picolinonitrile
425695-01	3-Fluoro-5- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) picolinonitrile