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2-Hydroxy-3-cyanopyridine

CAT: 0572-TRC-H825140-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825140-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20577-27-9
Hazard Statement
No Data Available
Smiles
Oc1ncccc1C#N
Molecular Formula
C6 H4 N2 O
Molecular Weight
120.11
InChI
InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
Additionnal Information
IUPAC name: 2-hydroxypyridine-3-carbonitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Cyano-2-pyridone

3-cyano-2-pyridone is a nitrile and a member of pyridines.

CAS Number20577-27-9
PubChem CID577543
IUPAC Name2-oxo-1H-pyridine-3-carbonitrile
Molecular FormulaC6H4N2O
Molecular Weight120.11
XLogP0.1
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity241
SMILES
C1=CNC(=O)C(=C1)C#N
InChI
InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChIKey
DYUMBFTYRJMAFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyano-2-pyridone
CAS: 20577-27-9
CID: 577543
Formula: C6H4N2O
MW: 120.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.11
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass120.032362755
Monoisotopic Mass120.032362755
Topological Polar Surface Area52.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity241
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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