ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate

C8H8ClFN2O3 — CID 134521692

IUPACethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
SMILESCCOC(=O)COc1nc(Cl)ncc1F
InChIInChI=1S/C8H8ClFN2O3/c1-2-14-6(13)4-15-7-5(10)3-11-8(9)12-7/h3H,2,4H2,1H3
InChIKeyHEMJFQPDYVSWTL-UHFFFAOYSA-N
MW234.61 g/mol
LogP1.21
Rot. Bonds4

About ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate

ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate (PubChem CID 134521692) has the molecular formula C8H8ClFN2O3 and a molecular weight of 234.61 g/mol. Its IUPAC name is ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
PubChem CID134521692
Molecular FormulaC8H8ClFN2O3
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Nameethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
SMILESCCOC(=O)COc1nc(Cl)ncc1F
InChIInChI=1S/C8H8ClFN2O3/c1-2-14-6(13)4-15-7-5(10)3-11-8(9)12-7/h3H,2,4H2,1H3
InChIKeyHEMJFQPDYVSWTL-UHFFFAOYSA-N
XLogP1.21
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxycyclohexyl]acetate
CID 167388788
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
ethyl 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]butanoate
CID 79076101
diethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanedioate
CID 86725111
ethyl 2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]-(2,2-dimethylpropyl)amino]acetate
CID 156771314
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
CID 4513854
ethyl N-(2-chloro-5-fluoropyrimidin-4-yl)-N-(2,2-difluoroethyl)carbamate
CID 145351432
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
CID 139822544
2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine
CID 79080952
ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
CID 59875313
ethyl 2-[4-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate (CID 134521692) is ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate is CCOC(=O)COc1nc(Cl)ncc1F.
What is the InChIKey of ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate?
The InChIKey is HEMJFQPDYVSWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3/c1-2-14-6(13)4-15-7-5(10)3-11-8(9)12-7/h3H,2,4H2,1H3.
What are the key properties of ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate?
ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate has a molecular weight of 234.61 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 134521692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).