67058-76-8 Purity
97%
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The molecular formula of 2-Bromo-5-cyano-6-picoline is C7H5BrN2.
The molecular weight of 2-Bromo-5-cyano-6-picoline is 197.03 g/mol.
The IUPAC name of 2-Bromo-5-cyano-6-picoline is 6-bromo-2-methylpyridine-3-carbonitrile.
The InChI of 2-Bromo-5-cyano-6-picoline is InChI=1S/C7H5BrN2/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,1H3.
The InChIKey of 2-Bromo-5-cyano-6-picoline is VXLPCDPMLFDENY-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-5-cyano-6-picoline is CC1=C(C=CC(=N1)Br)C#N.
The CAS number of 2-Bromo-5-cyano-6-picoline is 1003711-39-4.
The DSSTox Substance ID of 2-Bromo-5-cyano-6-picoline is DTXSID60652049.
The XLogP3-AA value of 2-Bromo-5-cyano-6-picoline is 2.
Yes, 2-Bromo-5-cyano-6-picoline is a canonicalized compound.