3-Pyridinecarboxylic acid, 3-methylbutyl ester

CAS Registry Number®

50917-69-6

CAS Name

3-Pyridinecarboxylic acid, 3-methylbutyl ester

Molecular Formula

C11H15NO2

Molecular Mass

193.24

Cite this Page

3-Pyridinecarboxylic acid, 3-methylbutyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50917-69-6 (retrieved 2025-01-03) (CAS RN: 50917-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    129 °C @ Press: 9 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H15NO2/c1-9(2)5-7-14-11(13)10-4-3-6-12-8-10/h3-4,6,8-9H,5,7H2,1-2H3

InChIKey

InChIKey=AEXUAOSTRZAKRT-UHFFFAOYSA-N

SMILES

C(OCCC(C)C)(=O)C=1C=CC=NC1

Canonical SMILES

O=C(OCCC(C)C)C=1C=NC=CC1

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 3-methylbutyl ester
  • Nicotinic acid, isopentyl ester
  • 3-Methylbutyl pyridine-3-carboxylate

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