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6-Hydroxynicotinic acid

6-Hydroxynicotinic acid structure

CAS No:
5006-66-6
Formula:
C6H5NO3
Chemical Name:
6-Hydroxynicotinic acid
Synonyms:
3-Pyridinecarboxylic acid,1,6-dihydro-6-oxo-;Nicotinic acid,1,6-dihydro-6-oxo-;Nicotinic acid,6-hydroxy-;1,6-Dihydro-6-oxo-3-pyridinecarboxylic acid;6-Hydroxynicotinic acid;2-Pyridone-5-carboxylic acid;6-Hydroxyniacin;5-Carboxy-2-pyridone;6-Hydroxypyridine-3-carboxylic acid;2-Hydroxypyridine-5-carboxylic acid;NSC 35054;NSC 53377;NSC 8620;2-Hydroxy-5-carboxypyridine;6-Oxo-1,6-dihydro-pyridine-3-carboxylic acid;2-Oxopyridine-5-carboxylic acid;4588-15-2
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Off-white powder

Solid

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 derives from a nicotinic acid. It is a conjugate acid of a 6-hydroxynicotinate(1-).

6-Hydroxynicotinic acid Basic Attributes

Molecular Weight：

139.11

Exact Mass：

139.11

BRN：

472182

EC Number：

225-682-9

UNII：

8PLJ71N310

NSC Number：

53377|35054|8620

DSSTox ID：

DTXSID0057754

HScode：

2933399090

Characteristics

PSA：

66.4

XLogP3：

-0.5

Appearance：

Off-white to light brown Powder

Density：

1.5±0.1 g/cm3

Melting Point：

310 °C (decomp)

Boiling Point：

384°C at 760 mmHg

Flash Point：

249.4±24.6 °C

Refractive Index：

1.626

Storage Conditions：

Refrigerator

Collision Cross Section：

129.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|118.52 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|136.43 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|125.73 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|128.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|129.1 Å² [M+H]+

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 96 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-hydroxynicotinic acid

6-Hydroxynicotinic acid Use and Manufacturing

Uses

Nicotinic Acid derivative, found in fruit hypanthium.

Manufacturing Info：

3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-: ACTIVE

Computed Properties

Molecular Weight:139.11
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.026943022
Monoisotopic Mass:139.026943022
Topological Polar Surface Area:66.4
Heavy Atom Count:10
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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