5-Hydroxynicotinic acid

HCID 34037CAS 27828-71-3

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Grundinformationen

Standard-SMILES: O=C(O)c1cncc(O)c1
InChIKey: ATTDCVLRGFEHEO-UHFFFAOYSA-N
Summenformel: C6H5NO3
Durchschnittliche Molmasse: 139,11 g/mol
Monoisotopische Masse: 139,02694302

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxynicotinic acid
IUPAC: 5-hydroxypyridine-3-carboxylic acid
Englischer Name: 5-Hydroxynicotinic acid
Summenformel: C6H5NO3
Molmasse: 139.11

Namen und Synonyme

5-Hydroxynicotinic acid27828-71-35-Hydroxy-3-pyridinecarboxylic acidDTXSID50182143RefChem:102920DTXCID60104634622-583-65-hydroxypyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 5-hydroxy-5-Hydroxy-nicotinic acidMFCD001291175-hydroxy nicotinic acid

Weitere Namen anzeigen

AKOS NCG-00225-HydroxynicotinicNicotinic acid-004TIMTEC-BB SBB0102735-Hydroxynicotinic a5-hydroxy-nicotinicaci5-Hydroxy nicotic acidHydroxynicotinicacid 5-5-HydroxynicotinicAcid>

SCHEMBL186161CHEMBL2146902BBL010930BDBM50391823CS-W009148NCGC00342404-01Q274557725-hydroxynicotinicacid

Datenbank-Bezeichner

CAS: 27828-71-3
PubChem CID: 34037
DTXSID: DTXSID50182143
ChEMBL: CHEMBL2146902
ChEBI: CHEBI:169995
EC Number: 622-583-6
Nikkaji: J28.110G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
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: 299 °C · 299 °C
Siedepunkt: 519.3 · 519.3±35.0 °C(Predicted)
Dichte: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 2.08 · 2.08±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Yellow
BRN: 115847 · 115847
InChI: InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)
InChIKey: ATTDCVLRGFEHEO-UHFFFAOYSA-N
SMILES: C1=NC=C(O)C=C1C(O)=O
CAS Datenbank: 27828 · 27828-71-3(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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
RTECS-Nr.: QT1757500
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Harmful/Irritant/Keep Cold
safety_code: 26-37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Hydroxynicotinic acid is a nicotinic acid analog with potential inhibitory effect on the metabolism nicotinic acid by human platelets. Used in the investigation of the hydroxylation mechanism of the flaovoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO).