Products for Research Use Only
RegisterLogin

3,5-Dimethoxypicolinonitrile

CAT: 0926-LBA05745Size: 2.5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-LBA05745Size:2.5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
36057-45-1
MDL Number
MFCD18255817
Smiles
COC1=CC (=C (N=C1) C#N) OC
Molecular Formula
C8H8N2O2
Molecular Weight
164.16 g/mol
Controlled
No

Chemical Information

3,5-Dimethoxypicolinonitrile
CAS Number36057-45-1
PubChem CID45480234
IUPAC Name3,5-dimethoxypyridine-2-carbonitrile
Molecular FormulaC8H8N2O2
Molecular Weight164.16
XLogP0.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity187
SMILES
COC1=CC(=C(N=C1)C#N)OC
InChI
InChI=1S/C8H8N2O2/c1-11-6-3-8(12-2)7(4-9)10-5-6/h3,5H,1-2H3
InChIKey
LJXBVWYMXUENCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxypicolinonitrile
CAS: 36057-45-1
CID: 45480234
Formula: C8H8N2O2
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass164.058577502
Monoisotopic Mass164.058577502
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
IBA28452-013,3',5,5'-Tetrachlorobiphenyl
HGA94317-013,3,5,5-Tetramethylazepane
AAA38617-013',3'',5',5''-Tetraiodophenolphthalein
IQB75491-015,5,5-Trifluoro-3,3-dimethylpentanoic acid
SGB91519-013,3,5,5-Tetramethylpiperidine hydrochloride
FT28151-013,5,3',5'-Tetraiodo thyroaldehyde
FT28150-013,5,3',5'-Tetraiodothyroacetic acid
FT66242-013,3',5,5'-Tetraiodothyroformic acid
FT159975-013,5,3',5'-Tetraiodo thyroacetamide
PBA63533-013,3',4,5,5'-Pentachlorobiphenyl

Alternative Products

CatalogName
OR9506353,5-Dimethoxypicolinonitrile
sc-3191175,6-Dimethoxypicolinonitrile
HY-D09123,3',5,5'-Tetraethylbenzidine
426878-013,3',5,5'-Tetraisopropyldiphenoquinone
0214423,5,3’,5’-Tetrachlorobisphenol A
sc-209721B3,5,3',5'-Tetrachlorobisphenol A
sc-208442D3,3',5,5'-Tetramethylbenzidine
sc-206023B3′,3′′,5′,5′′-Tetraiodophenolsulfonephthalein
OR10977533,3,5,5-Tetramethylcyclohexanol
16400-50-33,3',5,5'-Tetrabromobiphenyl

Popular Products