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3376-96-3

3376-96-3 structural image
Product Name: 4-Pyridinecarboxylicacid,2-ethyl-(9CI)
Formula: C8H9NO2
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COMPUTED DESCRIPTORS

Molecular Weight 151.16 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 151.063328530 g/mol
Monoisotopic Mass 151.063328530 g/mol
Topological Polar Surface Area 50.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 147
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-ethylisonicotinic acid is a pyridinemonocarboxylic acid that is isonicotinic acid with an ethyl substituent at position 2 on the ring. It has a role as a metabolite. It is functionally related to an isonicotinic acid.