6-Methylpyridin-2-carbonsure

6-Methylpyridine-2-carboxylic acid

HCID 70282CAS 934-60-1

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Grundinformationen

Standard-SMILES: Cc1cccc(C(=O)O)n1
InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N
Summenformel: C7H7NO2
Durchschnittliche Molmasse: 137,14 g/mol
Monoisotopische Masse: 137,04767846

Namen und Bezeichner

Bevorzugter Name: 6-Methylpyridine-2-carboxylic acid
IUPAC: 6-methylpyridine-2-carboxylic acid
Lokaler Name: 6-Methylpyridin-2-carbonsure
Englischer Name: 6-Methyl-2-pyridinecarboxylic acid
Summenformel: C7H7NO2
Molmasse: 137.14

Namen und Synonyme

6-Methylpicolinic acid6-Methylpyridine-2-carboxylic acid6-methyl picolinic acidKB675Y352LEINECS 213-287-4UNII-KB675Y352LNSC 26023NSC-26023LTUUGSGSUZRPRV-UHFFFAOYSA-DTXSID20239416RefChem:105057DTXCID40161907

Weitere Namen anzeigen

6-METHYL-2-PICOLINIC ACIDNSC 109143IFLAB-BB F1790-0068RARECHEM AL BO 1402-2-pyridinecarboxyL6-Methylpicolinic acid,97%

213-287-4InChI=1/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)LTUUGSGSUZRPRV-UHFFFAOYSA-N934-60-16-Methyl-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-methyl-2-Picoline-6-carboxylic acidPicolinic acid, 6-methyl-

Datenbank-Bezeichner

CAS: 934-60-1
PubChem CID: 70282
DTXSID: DTXSID20239416
ChEMBL: CHEMBL1650458
UNII: KB675Y352L
EC Number: 213-287-4
Nikkaji: J101.238J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 136

Experimentelle und physikochemische Eigenschaften

LogP-1.22

Physikochemische Eigenschaften

Schmelzpunkt: 130 °C · 130 °C
Siedepunkt: 100 °C/4.5mm · 100°C/4.5mm
Dichte: 1.23 · 1.230±0.06 g/cm3(Predicted)
Flammpunkt: 100 °C/4.5mm · 100°C/4.5mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
pka: 1 · pK1:5.83 (25°C)
Farbe: White to Almost white
InChI: InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(C)=CC=C1
CAS Datenbank: 934 · 934-60-1(CAS DataBase Reference)
NIST chemische Informationen: 6 · 6-Methyl picolinic acid(934-60-1)

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
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPharmacological activity studied in regard to: Interactions of carrier ligands of antidiabetic metal complexes with human serum albuminAbility to chelate metalloenzyme inhibitorsInteractions of insulin-mimetic zinc(II) complexes with cell constituentsReactant for: Synthesis of inhibitors of human 11β -hydroxysteroid dehydrogenase type 1Lewis base organocatalysts for stereoselective hydrosilylation reactionsBiological studies of insulin-enhancing complexes