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2-Pyridineacetonitrile

CAT: 0572-TRC-P996955-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P996955-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2739-97-1
Synonyms
(2-Pyridinyl)acetonitrile; (Pyridyl-2-yl)acetonitrile; 2-(2-Pyridyl)acetonitrile
Hazard Statement
No Data Available
Smiles
N#CCC1=CC=CC=N1
Molecular Formula
C7H6N2
Molecular Weight
118.14
InChI
InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2
Additionnal Information
IUPAC name: 2-(pyridin-2-yl)acetonitrile
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pyridine-2-acetonitrile
CAS Number2739-97-1
PubChem CID75959
IUPAC Name2-pyridin-2-ylacetonitrile
Molecular FormulaC7H6N2
Molecular Weight118.14
XLogP0.6
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity122
SMILES
C1=CC=NC(=C1)CC#N
InChI
InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2
InChIKey
UKVQBONVSSLJBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridine-2-acetonitrile
CAS: 2739-97-1
CID: 75959
Formula: C7H6N2
MW: 118.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.14
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass118.053098200
Monoisotopic Mass118.053098200
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity122
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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