Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate

HCID 89013CAS 21683-58-9

Basic information

Standard SMILES
CCOC(=O)CC(=O)c1ccc(C)nc1
InChIKey
CSTIAWJADKPHBF-UHFFFAOYSA-N
Molecular formula
C11H13NO3
Average molar mass
207.23 g/mol
Monoisotopic mass
207.08954328

Names & identifiers

Preferred name
Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate
IUPAC
ethyl 3-(6-methyl-3-pyridinyl)-3-oxopropanoate
English name
ethyl 3-(2-methyl-5-pyridyl)-3-oxopropionate
Molecular formula
C11H13NO3
Molecular weight
207.23

Names & synonyms

ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate21683-58-93-Pyridinepropanoicacid, 6-methyl-b-oxo-,ethyl esterEthyl 3-(2-methyl-5-pyridyl)-3-oxopropionateMFCD115048085C6ZE85DD36-methyl nicotinoyl acetic acid ethyl esterethyl 3-(2-methyl-5-pyridinyl)-3-oxopropanoateEINECS 244-529-7UNII-5C6ZE85DD3SCHEMBL10662120SCHEMBL29939457
Show more names
Ethyl 6-methyl-β-oxo-3-pyridinepropanoate6-Methyl-β-oxo-3-pyridinepropanoic acid ethyl ester3-Pyridinepropanoic acid, 6-methyl-β-oxo-, ethyl ester
2-Methyl-5-ethoxymalonylpyridineDTXSID00176072AB11356DB-416305Ethyl 6-methyl-beta-oxo-3-pyridinepropanoateNS00026936ethyl3-(6-methylpyridin-3-yl)-3-oxopropanoateethyl 3-(6-methyl-3-pyridyl)-3-oxo-propanoate

Database identifiers

CAS
21683-58-9
PubChem CID
89013
DTXSID
DTXSID00176072
UNII
5C6ZE85DD3
EC Number
244-529-7
Nikkaji
J225.415H

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
56.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

FDA UNII
5 C6ZE85DD3 · 5C6ZE85DD3

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers8 total

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]

Related reactions

11 records

Linked notes

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