Ethyl 4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate

HCID 247443
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Basic information

CAS
16108-48-8
Standard SMILES
CCOC(=O)c1c(C)cc(C)[nH]c1=O
InChIKey
GZBUMXFWJBMWEE-UHFFFAOYSA-N
Molecular formula
C10H13NO3
Average molar mass
195.21 g/mol
Monoisotopic mass
195.08954328

Names & identifiers

Preferred name
Ethyl 4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate
IUPAC
ethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
English name
Ethyl 2-hydroxy-4,6-diMethylnicotinate
Molecular formula
C10H13NO3
Molecular weight
195.22

Names & synonyms

16108-48-8ethyl 4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylateethyl 2-hydroxy-4,6-dimethylnicotinateethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylateETHYL 2-HYDROXY-4,6-DIMETHYLPYRIDINE-3-CARBOXYLATEethyl 4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylateNSC61971Maybridge3_004836TimTec1_004537Oprea1_090965Oprea1_834311MLS000713594
Show more names
3-Pyridinecarboxylic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-, ethyl ester
SCHEMBL679558CHEMBL1420718DTXSID10289566HMS1444L18HMS1546O05HMS2642E23CCG-44590MFCD00462988

Database identifiers

CAS
16108-48-8
PubChem CID
247443
DTXSID
DTXSID10289566
ChEMBL
CHEMBL1420718

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
136 °C · 136 °C
Boiling point
371 · 371.0±42.0 °C(Predicted)
Density
1.124 · 1.124±0.06 g/cm3(Predicted)
pka
10.3 · 10.30±0.10(Predicted)
HS Code
2933399990 · 2933399990

Safety & regulation

Safety data

hs_code
2933399990

Chemistry & industry

Upstream & downstream products

Suppliers5 total

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海瑞昶医药科技有限公司18621054990
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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