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5-Chloronicotinonitrile

CAT: 0127-OR46037-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
51269-82-0
Synonyms
5-Chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopyridine
MDL Number
MFCD03411334
Purity
98%
Smiles
Clc1cncc(c1)C#N

Chemical Information

5-Chloropyridine-3-carbonitrile
CAS Number51269-82-0
PubChem CID12645070
IUPAC Name5-chloropyridine-3-carbonitrile
Molecular FormulaC6H3ClN2
Molecular Weight138.55
XLogP1.2
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity137
SMILES
C1=C(C=NC=C1Cl)C#N
InChI
InChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
InChIKey
VHVCXRPJVSZARD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloropyridine-3-carbonitrile
CAS: 51269-82-0
CID: 12645070
Formula: C6H3ClN2
MW: 138.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.55
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.9984758
Monoisotopic Mass137.9984758
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity137
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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