6-Fluoro-4-methylpyridine-3-carboxylic acid

HCID 46739274

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Grundinformationen

CAS: 944582-95-0
Standard-SMILES: Cc1cc(F)ncc1C(=O)O
InChIKey: KFWMUBBPUAWTPO-UHFFFAOYSA-N
Summenformel: C7H6FNO2
Durchschnittliche Molmasse: 155,13 g/mol
Monoisotopische Masse: 155,03825665

Namen und Bezeichner

Bevorzugter Name: 6-Fluoro-4-methylpyridine-3-carboxylic acid
IUPAC: 6-fluoro-4-methylpyridine-3-carboxylic acid
Englischer Name: 2-Fluoro-4-methylpyridine-5-carboxylic acid
Summenformel: C7H6FNO2
Molmasse: 155.13

Namen und Synonyme

944582-95-06-Fluoro-4-methylpyridine-3-carboxylic acidDTXSID90674895RefChem:543202DTXCID30625644690-479-86-Fluoro-4-methylnicotinic acid2-FLUORO-4-METHYLPYRIDINE-5-CARBOXYLIc acid3-Pyridinecarboxylicacid, 6-fluoro-4-methyl-MFCD092604526-Fluoro-4-methyl-pyridine-3-carboxylic acid6-Fluoro-4-methylnicotinicacid

Weitere Namen anzeigen

6-fluoro-4-methylpicolinic acid6-Fluoro-4-methylnicotinicaci3-Pyridinecarboxylic acid, 6-fluoro-4-methyl-6-Fluoro-4-methylpyridine-3-carboxylic acid, 5-Carboxy-2-fluoro-4-methylpyridine6-Fluoro-4-methylpyridine-3-carboxylic acid, 3-Carboxy-6-fluoro-4-methylpyridine

SCHEMBL1390714CHEMBL5278984SCHEMBL30962313KFWMUBBPUAWTPO-UHFFFAOYSA-NAKOS006331793AB49982CS-W007072PS-6379

Datenbank-Bezeichner

CAS: 944582-95-0
PubChem CID: 46739274
DTXSID: DTXSID90674895
ChEMBL: CHEMBL5278984
EC Number: 690-479-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 320.8 · 320.8±37.0 °C(Predicted)
Dichte: 1.341 · 1.341±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.03 · 3.03±0.25(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.