90435-92-0 Purity
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Specification
The molecular formula of 2-isopropylisonicotinamide is C9H12N2O.
The molecular weight of 2-isopropylisonicotinamide is 164.20 g/mol.
The IUPAC name of 2-isopropylisonicotinamide is 2-propan-2-ylpyridine-4-carboxamide.
The InChI of 2-isopropylisonicotinamide is InChI=1S/C9H12N2O/c1-6(2)8-5-7(9(10)12)3-4-11-8/h3-6H,1-2H3,(H2,10,12).
The InChIKey of 2-isopropylisonicotinamide is OTFXARYHBCHYQB-UHFFFAOYSA-N.
The canonical SMILES of 2-isopropylisonicotinamide is CC(C)C1=NC=CC(=C1)C(=O)N.
The CAS number of 2-isopropylisonicotinamide is 90437-04-0.
The XLogP3-AA value of 2-isopropylisonicotinamide is 0.9.
2-isopropylisonicotinamide has 1 hydrogen bond donor count.
Yes, 2-isopropylisonicotinamide is a canonicalized compound according to PubChem.