2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-3-pyridinecarboxylic acid

CAS Registry Number®

81335-78-6
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CAS Name

2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-3-pyridinecarboxylic acid

Molecular Formula

C14H17N3O4

Molecular Mass

291.30

Cite this Page

2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-3-pyridinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81335-78-6 (retrieved 2024-09-07) (CAS RN: 81335-78-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-171.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H17N3O4/c1-7(2)14(3)13(21)16-11(17-14)10-9(12(19)20)4-8(6-18)5-15-10/h4-5,7,18H,6H2,1-3H3,(H,19,20)(H,16,17,21)

InChIKey

InChIKey=XQOJIMLCWGIOCP-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(N=CC(CO)=C1)C=2NC(C(C)C)(C)C(=O)N2

Canonical SMILES

O=C(O)C=1C=C(C=NC1C2=NC(=O)C(N2)(C)C(C)C)CO

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-
  • 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-3-pyridinecarboxylic acid

Deleted or Replaced CAS Registry Numbers

156605-91-3