6-Methylpyridin-3-ol
2-Methyl-5-hydroxypyridine
Grundinformationen
- CAS
1121-78-4- Standard-SMILES
Cc1ccc(O)cn1- InChIKey
DHLUJPLHLZJUBW-UHFFFAOYSA-N- Summenformel
- C6H7NO
- Durchschnittliche Molmasse
- 109,13 g/mol
- Monoisotopische Masse
- 109,05276385
Überblick
2-methyl-5-hydroxypyridine has been reported in Cynoglossum zeylanicum and Panax ginseng with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-5-hydroxypyridine
- IUPAC
- 6-methylpyridin-3-ol
- Lokaler Name
- 6-Methylpyridin-3-ol
- Englischer Name
- 3-Hydroxy-6-methylpyridine
- Summenformel
- C6H7NO
- Molmasse
- 109.13
Namen und Synonyme
5-Hydroxy-2-methylpyridine1121-78-46-Methylpyridin-3-ol2-Methyl-5-hydroxypyridine3-HYDROXY-6-METHYLPYRIDINE6-Methyl-3-pyridinol3-Pyridinol, 6-methyl-6-Methyl-3-hydroxypyridine5-Hydroxy-2-picoline2-methyl-5-pyridinolDTXSID4051580BRN 0107077
Weitere Namen anzeigen
6-methyl-3-pyridinoTIMTEC-BB SBB0043492-Methylpyridin-5-ol6-Methyl-3-pyridineol3-HYDOXY-6-METHYLPYRIDINE
DHLUJPLHLZJUBW-UHFFFAOYSA-UKE16JP1JREINECS 214-337-8NSC 27963NSC-279633-PYRIDOL, 6-METHYL-5-21-02-00139 (Beilstein Handbook Reference)DTXCID8030132
Datenbank-Bezeichner
- CAS
1121-78-4- PubChem CID
- 14275
- DTXSID
DTXSID4051580- ChEMBL
CHEMBL134979- UNII
- UKE16JP1JR
- EC Number
- 214-337-8
- Nikkaji
- J121J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 74,9
Experimentelle und physikochemische Eigenschaften
Collision Cross Section119.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580]
Physikochemische Eigenschaften
- Schmelzpunkt
- 168 · 168-170 °C(lit.)
- Siedepunkt
- 204.59 °C · 204.59°C (rough estimate)
- Dichte
- 1.1143 · 1.1143 (rough estimate)
- Brechungsindex
- 1.504 · 1.5040 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- dichloromethane: soluble
- pka
- 9.49 · 9.49±0.10(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Beige to light tan
- BRN
- 107077 · 107077
- InChI
- InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- RTECS-Nr.
- UU7714900
- risk_code
- 22-37/38-41-40-36/37/38
- Toxizität
- mouse,LD50,intraperitoneal,846mg/kg (846mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
- hazard_code
- Xn,Xi
- safety_code
- 26-39-24/25-36-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden5-Hydroxy-2-methylpyridine was used as starting reagent for the synthesis of 5-[(4-methoxybenzyl)oxy]-2-pyridinecarbaldehyde. It was used in synthesis of [HNC6H6OH]2[Cu(NC5H5)4(NbOF5)2].It was used as ligand of a platinum complex which showed protein kinase inhibitory action at nanomolar levels. It forms a chiral pyridinium ionic liquid on reaction with L-menthol chloromethyl ether.
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