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5006-66-6

5006-66-6 structural image
Product Name: 2-Hydroxy-5-pyridinecarboxylic acid
Formula: C6H5NO3
Synonyms: 2-Hydroxy-5-pyridinecarboxylic acid;6-Hydroxynicotinic acid;6-Hydroxypyridine-3-carboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white powder; [Alfa Aesar MSDS]
Melting Point 310 °C
Collision Cross Section 129.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Chemical Classes Nitrogen Compounds -> Pyridines

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 139.11 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 139.026943022 g/mol
Monoisotopic Mass 139.026943022 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 239
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

6-hydroxynicotinic acid is a monohydroxypyridine that is the 6-hydroxy derivative of nicotinic acid. It has a role as a mouse metabolite, a human urinary metabolite and an Arabidopsis thaliana metabolite. It is functionally related to a nicotinic acid. It is a conjugate acid of a 6-hydroxynicotinate(1-).

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