5,6-Dimethylnicotinonitrile

CAT: 0926-NEA12409Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-NEA12409Size:5 g

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CAS Number

113124-09-7

MDL Number

MFCD11101052

Smiles

CC1=CC (=CN=C1C) C#N

Molecular Formula

C8H8N2

Molecular Weight

132.17 g/mol

Controlled

Chemical Information

5,6-Dimethylpyridine-3-carbonitrile

CAS Number	113124-09-7
PubChem CID	21599048
IUPAC Name	5,6-dimethylpyridine-3-carbonitrile
Molecular Formula	C8H8N2
Molecular Weight	132.16
XLogP	1.3
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	156

SMILES

CC1=CC(=CN=C1C)C#N

InChI

InChI=1S/C8H8N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,1-2H3

InChIKey

WKGURDJVSXADDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113124-09-7

CID: 21599048

Formula: C8H8N2

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	132.068748264
Monoisotopic Mass	132.068748264
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	156
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
QKB09232-01	5-Chloro-4,6-dimethylnicotinonitrile
HIB73766	2- (Difluoromethoxy) -4,6-dimethylnicotinonitrile
QCA51539	2-Methoxy-4,6-dimethylnicotinonitrile
JCA14667	5,6-Dimethylpicolinonitrile
ICA55645	5,5,6,6,6-Pentafluorohexan-1-ol
AAA35640	5,5,6,6,6-Pentafluorohexane-2,4-dione
LUD87953-01	4- (Aminomethyl) -5,5,6,6,6-pentafluorohexanoic acid hydrochloride
FU184380-01	6-Ureidomethyl-5,6-dihydromorphanthridine
QFA92335-01	6-Hydroxy-5,6-dehydrosugiol
AVD25918-01	5,5-Diethoxy-5,6,7,8-tetrahydroquinolin-6-amine

Catalog	Name
OR943902-01	5,6-Dimethylnicotinonitrile
OR1045281-01	2-Chloro-5,6-dimethylnicotinonitrile
PC111272-01	2-Fluoro-5,6-dimethylnicotinonitrile
OR83629-01	2-Bromo-5,6-dimethylnicotinonitrile
OR938736-01	4,6-Dimethylnicotinonitrile
RG-A262463-01	2,5-Dichloro-4,6-Dimethylnicotinonitrile
TRC-D474710-2.5G	4,5-Dimethylnicotinonitrile
GTR19252624-01	5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
sc-299734A	5-Bromo-2-chloro-4,6-dimethylnicotinonitrile
418584-01	2-Methoxy-4,6-dimethylnicotinonitrile