5-Hydroxypyridine-2-carboxylic acid

HCID 268740CAS 15069-92-8

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc(O)cn1
InChIKey: CGRRUFNHHQCLDZ-UHFFFAOYSA-N
Summenformel: C6H5NO3
Durchschnittliche Molmasse: 139,11 g/mol
Monoisotopische Masse: 139,02694302

Überblick

5-hydroxypicolinic acid is a member of pyridines and an aromatic carboxylic acid.

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxypyridine-2-carboxylic acid
IUPAC: 5-hydroxypyridine-2-carboxylic acid
Englischer Name: 5-Hydroxypyridine-2-carboxylic acid
Summenformel: C6H5NO3
Molmasse: 139.11

Namen und Synonyme

5-hydroxypyridine-2-carboxylic acidDTXSID10934029RefChem:102930DTXCID201362683691-371-35-Hydroxypicolinic acid15069-92-85-HYDROXY-2-PYRIDINECARBOXYLIC ACID5-Hydroxy-pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-MFCD00661309SCHEMBL288224

Weitere Namen anzeigen

5-Hy6-Carboxy-3-pyridinolIFLAB-BB F2124-09595-Hydroxypicolinic acid 98%5-Hydroxypicolinic acid ,97%5-Hydroxypyridine-2-carbo...5-Hydroxypicolinic acid, 95+%5-HYDROXYPYRIDINE-2-CARBOXYLATE

STK894097AC-5954PB26027PS-5444NCGC00339634-01SY0130725-Hydroxypyridine-2-carboxylic acid monohydrateAB01331858-02

Datenbank-Bezeichner

CAS: 15069-92-8
PubChem CID: 268740
DTXSID: DTXSID10934029
ChEBI: CHEBI:233889
EC Number: 691-371-3
Nikkaji: J1.957.165C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 70,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 260 · 260-264
Siedepunkt: 514.9 · 514.9±35.0 °C(Predicted)
Dichte: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Soluble in acetone, dimethyl sulfoxide , ethanol and methanol.
Aggregatzustand: Solid
pka: 1.15 · 1.15±0.50(Predicted)
Farbe: Pale Yellow
Stabilität: Stable at Room Temperature
InChI: InChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h1-3,8H,(H,9,10)
InChIKey: CGRRUFNHHQCLDZ-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=C(O)C=C1
CAS Datenbank: 15069 · 15069-92-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.