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4-Cyano-2-methylpyridine

CAT: 0572-TRC-C981940-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C981940-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2214-53-1
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
Cc1cc(ccn1)C#N
Molecular Formula
C7 H6 N2
Molecular Weight
118.14
InChI
InChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3
Additionnal Information
IUPAC name: 2-methylpyridine-4-carbonitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methylpyridine-4-carbonitrile
CAS Number2214-53-1
PubChem CID11959073
IUPAC Name2-methylpyridine-4-carbonitrile
Molecular FormulaC7H6N2
Molecular Weight118.14
XLogP0.8
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
CC1=NC=CC(=C1)C#N
InChI
InChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3
InChIKey
SBWJLHPCEHEABR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpyridine-4-carbonitrile
CAS: 2214-53-1
CID: 11959073
Formula: C7H6N2
MW: 118.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.14
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass118.053098200
Monoisotopic Mass118.053098200
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
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

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Alternative Products

CatalogName
268740-014-Cyano-2-methylpyridine
1605373-Cyano-4-methylpyridine
1613394-Cyano-3-methylpyridine
OR300781-013-Cyano-2-hydroxy-4-methylpyridine
sc-4832285-Bromo-2-cyano-4-methylpyridine
230259-012-Cyano-4-methylpyridine ≥95% (HPLC)
OR300761-012-Chloro-3-cyano-4-methylpyridine
436288-015-Cyano-2-methylpyridine
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