5- (2-Hydroxyethyl) nicotinonitrile

CAT: 0127-OR471730Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR471730Size:1 g

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CAS Number

1694868-89-7

MDL Number

MFCD31695766

Purity

95%

Smiles

OCCc1cncc(c1)C#N

Chemical Information

5-(2-Hydroxyethyl)nicotinonitrile

CAS Number	1694868-89-7
PubChem CID	105429174
IUPAC Name	5-(2-hydroxyethyl)pyridine-3-carbonitrile
Molecular Formula	C8H8N2O
Molecular Weight	148.16
XLogP	0.1
Topological Polar Surface Area	56.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

C1=C(C=NC=C1C#N)CCO

InChI

InChI=1S/C8H8N2O/c9-4-8-3-7(1-2-11)5-10-6-8/h3,5-6,11H,1-2H2

InChIKey

IIFNDFHFIDIWBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1694868-89-7

CID: 105429174

Formula: C8H8N2O

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	148.063662883
Monoisotopic Mass	148.063662883
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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
OR303591	2-[4- (2-Hydroxyethyl) piperazino]nicotinonitrile
OR303605	6-[4- (2-Hydroxyethyl) piperazino]nicotinonitrile
OR76205-01	5- (Hydroxymethyl) nicotinonitrile
OR1096669-01	5- (2,4-dimethylphenyl) nicotinonitrile
OR110346	5-Chloro-2- (methylamino) nicotinonitrile
PC905310-01	2-Chloro-5- (trifluoromethyl) nicotinonitrile
PC48319	2-Amino-5- (trifluoromethyl) nicotinonitrile
OR1064957-01	5-Bromo-2- (dimethylamino) nicotinonitrile
OR346129-01	2-Amino-5-methyl-nicotinonitrile
OR110347	5-Bromo-2- (methylamino) nicotinonitrile

Catalog	Name
sc-305964	2-[ (2-Hydroxyethyl) amino]nicotinonitrile
sc-306200	2-[4- (2-Hydroxyethyl) piperazino]nicotinonitrile
sc-325736A	6-[4- (2-Hydroxyethyl) piperazino]nicotinonitrile
FN29748-01	2- (Chloromethyl) nicotinonitrile
414267-01	2- (Isopropylamino) nicotinonitrile
414211-01	2- (Ethanesulfony) nicotinonitrile
sc-340224	2- (cyclopentyloxy) nicotinonitrile
sc-305907	2- (Butylamino) nicotinonitrile
sc-321052	2- (Diethylamino) nicotinonitrile
418160-01	2-Hydrazino-nicotinonitrile