3-Cyano-4,6-dimethyl-2-hydroxypyridine

HCID 69856
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Basic information

CAS
769-28-8
Standard SMILES
Cc1cc(C)c(C#N)c(=O)[nH]1
InChIKey
OCYMJCILWYHKAU-UHFFFAOYSA-N
Molecular formula
C8H8N2O
Average molar mass
148.16 g/mol
Monoisotopic mass
148.06366288

Overview

2-Hydroxy-4,6-dimethylnicotinonitrile is a nitrile and a member of pyridines.

Names & identifiers

Preferred name
3-Cyano-4,6-dimethyl-2-hydroxypyridine
IUPAC
4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
English name
3-Cyano-4,6-dimethyl-2-hydroxypyridine
Molecular formula
C8H8N2O
Molecular weight
148.16

Names & synonyms

769-28-83-Cyano-4,6-dimethyl-2-hydroxypyridine2-Hydroxy-4,6-dimethylnicotinonitrile4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-3-CYANO-4,6-DIMETHYL-2-PYRIDONENicotinonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-UNII-OTS4S2R79EEINECS 212-207-5OTS4S2R79EAI3-17235
Show more names
AKOS B029123AKOS B016302AKOS BB/0096Compound Fr13659AKOS BBS-00008241Guareschi PyridoneTIMTEC-BB SBB004084ART-CHEM-BB B016302
1,2-Dihydro-4,6-dimethyl-2-oxonicotinonitrileNSC-52066NSC-541613-cyano-4,6-dimethyl-2(1H)-pyridinoneDTXSID30221183-CYANO-4,6-DIMETHYL-2(1H)-PYRIDONE4,6-Dimethyl-3-cyano-2-pyridoneNSC 52066

Database identifiers

CAS
769-28-8
PubChem CID
69856
DTXSID
DTXSID3022118
ChEBI
CHEBI:194823
UNII
OTS4S2R79E
EC Number
212-207-5
Nikkaji
J103.254B

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
285 · 285-287 °C (lit.)
Boiling point
268.75 °C · 268.75°C (rough estimate)
Density
1.1828 · 1.1828 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
QT3046500
ridadr
3276
hs_code
29333990
risk_code
20/21/22-36/37/38

Chemistry & industry

Preparation methods · 1 item

PreparationPentylene glycol (10 g, 0.1 mol), cyanoacetamide (8.4 g, 0.1 mol), and sodium hydroxide (4 g, 0.1 mol) were added to anhydrous ethanol and stirred overnight at room temperature. The reaction was monitored by TLC until completion, at which point the reaction was stopped. The precipitated solid was filtered, washed with a small amount of water, ethanol, and diethyl ether, and dried to give 142 g (95.8%) of a white solid, 3-cyano-4,6-dimethyl-2-hydroxypyridine.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Additional notes

DefinitionChEBI: 2-Hydroxy-4,6-dimethylnicotinonitrile is a member of pyridines and a nitrile.

Related reactions

29 records
New reaction record

Compound notes

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