Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

HCID 11615451
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Basic information

CAS
821791-58-6
Standard SMILES
CCOC(=O)c1cn(C)c(=O)cc1Cl
InChIKey
WGSWOEOJYNQPRP-UHFFFAOYSA-N
Molecular formula
C9H10ClNO3
Average molar mass
215.63 g/mol
Monoisotopic mass
215.03492086

Names & identifiers

Preferred name
Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
IUPAC
ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate
English name
4-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
Molecular formula
C9H10ClNO3
Molecular weight
215.63

Names & synonyms

821791-58-6Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylateDTXSID00469491RefChem:343882DTXCID40420309ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate4-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl esterMFCD08234670ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylateCHEMBL4166955Ethyl 4-Chloranyl-1-Methyl-6-Oxidanylidene-Pyridine-3-Carboxylate4-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
Show more names
ethyl 4-chloro-1,6-dihydro-1-Methyl-6-oxopyridine-3-carboxylate3-Pyridinecarboxylicacid, 4-chloro-1,6-dihydro-1-Methyl-6-oxo-, ethyl ester
7MXSCHEMBL392754Ethyl 4-chloro-1-methyl-6-oxo-pyridine-3-carboxylateWGSWOEOJYNQPRP-UHFFFAOYSA-NEthyl4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylateBDBM50277360SBB095158AKOS005073541

Database identifiers

CAS
821791-58-6
PubChem CID
11615451
DTXSID
DTXSID00469491
ChEMBL
CHEMBL4166955

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Boiling point
302.4 · 302.4±42.0 °C(Predicted)
Density
1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
-3.05 · -3.05±0.62(Predicted)
Appearance
Yellow to brown Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers31 total

上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

37 records
New reaction record

Compound notes

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