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3-Bromo-4-methylpicolinonitrile

CAT: 0926-SDB84345-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-SDB84345-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
717843-45-3
MDL Number
MFCD12761209
Smiles
CC1=C (C (=NC=C1) C#N) Br
Molecular Formula
C7H5BrN2
Molecular Weight
197.04 g/mol
Controlled
No

Chemical Information

3-Bromo-4-methylpicolinonitrile
CAS Number717843-45-3
PubChem CID21952574
IUPAC Name3-bromo-4-methylpyridine-2-carbonitrile
Molecular FormulaC7H5BrN2
Molecular Weight197.03
XLogP2
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
CC1=C(C(=NC=C1)C#N)Br
InChI
InChI=1S/C7H5BrN2/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,1H3
InChIKey
FBVRTASSYFBLLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-4-methylpicolinonitrile
CAS: 717843-45-3
CID: 21952574
Formula: C7H5BrN2
MW: 197.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.03
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass195.96361
Monoisotopic Mass195.96361
Topological Polar Surface Area36.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
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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