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5-Isopropylpicolinonitrile

CAT: 0127-OR1031534-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1031534-01Size:100 mg
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CAS Number
110260-90-7
Purity
97%
Smiles
N#CC1=NC=C(C(C)C)C=C1

Chemical Information

5-Isopropylpicolinonitrile
CAS Number110260-90-7
PubChem CID14418677
IUPAC Name5-propan-2-ylpyridine-2-carbonitrile
Molecular FormulaC9H10N2
Molecular Weight146.19
XLogP2
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity166
SMILES
CC(C)C1=CN=C(C=C1)C#N
InChI
InChI=1S/C9H10N2/c1-7(2)8-3-4-9(5-10)11-6-8/h3-4,6-7H,1-2H3
InChIKey
SVHPHQGAEDHOIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Isopropylpicolinonitrile
CAS: 110260-90-7
CID: 14418677
Formula: C9H10N2
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.084398327
Monoisotopic Mass146.084398327
Topological Polar Surface Area36.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity166
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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