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5-Bromo-3-chloropicolinonitrile

CAT: 1266-JH809755Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
945557-04-0

Chemical Information

5-Bromo-3-chloropyridine-2-carbonitrile
CAS Number945557-04-0
PubChem CID45382148
IUPAC Name5-bromo-3-chloropyridine-2-carbonitrile
Molecular FormulaC6H2BrClN2
Molecular Weight217.45
XLogP2.2
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity164
SMILES
C1=C(C=NC(=C1Cl)C#N)Br
InChI
InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey
SIYPZKHSXDFDRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-3-chloropyridine-2-carbonitrile
CAS: 945557-04-0
CID: 45382148
Formula: C6H2BrClN2
MW: 217.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.45
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass215.90899
Monoisotopic Mass215.90899
Topological Polar Surface Area36.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity164
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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