Basic information
- CAS
1121-78-4- Standard SMILES
Cc1ccc(O)cn1- InChIKey
DHLUJPLHLZJUBW-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 2-Methyl-5-hydroxypyridine
- IUPAC
- 6-methylpyridin-3-ol
- English name
- 3-Hydroxy-6-methylpyridine
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
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-pyridinolDTXSID4051580UKE16JP1JR
Show more names
6-methyl-3-pyridinoTIMTEC-BB SBB0043492-Methylpyridin-5-ol6-Methyl-3-pyridineol3-HYDOXY-6-METHYLPYRIDINE
EINECS 214-337-8NSC 27963BRN 0107077NSC-279633-PYRIDOL, 6-METHYL-DTXCID8030132DHLUJPLHLZJUBW-UHFFFAOYSA-5-21-02-00139 (Beilstein Handbook Reference)
Database identifiers
- CAS
1121-78-4- PubChem CID
- 14275
- DTXSID
DTXSID4051580- ChEMBL
CHEMBL134979- UNII
- UKE16JP1JR
- EC Number
- 214-337-8
- Nikkaji
- J121J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
Kovats Retention Index2430
Collision Cross Section
119.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580]；118.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580]；120.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4051580]
Physicochemical properties
- Melting point
- 168 · 168-170 °C(lit.)
- Boiling point
- 204.59 °C · 204.59°C (rough estimate)
- Density
- 1.1143 · 1.1143 (rough estimate)
- refractive index
- 1.504 · 1.5040 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- dichloromethane: soluble
- pka
- 9.49 · 9.49±0.10(Predicted)
- form
- Crystalline Powder
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (88.9%)；Eye Irrit. 2 (11.1%)；STOT SE 3 (97.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UU7714900
- hs_code
- 29333990
- Toxicity
- mouse,LD50,intraperitoneal,846mg/kg (846mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
- risk_code
- 22-37/38-41-40-36/37/38
Chemistry & industry
Applications
Uses5-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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
235 records
Compound notes
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