ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate

C14H11Cl2FN2O3 — CID 58134196

IUPACethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(Cl)nc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C14H11Cl2FN2O3/c1-2-21-13(20)7-22-12-6-11(16)18-14(19-12)8-3-4-9(15)10(17)5-8/h3-6H,2,7H2,1H3
InChIKeyPCHKZHSWLZDAOB-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.53
Rot. Bonds5

About ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate

ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate (PubChem CID 58134196) has the molecular formula C14H11Cl2FN2O3 and a molecular weight of 345.16 g/mol. Its IUPAC name is ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate
PubChem CID58134196
Molecular FormulaC14H11Cl2FN2O3
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Nameethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(Cl)nc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C14H11Cl2FN2O3/c1-2-21-13(20)7-22-12-6-11(16)18-14(19-12)8-3-4-9(15)10(17)5-8/h3-6H,2,7H2,1H3
InChIKeyPCHKZHSWLZDAOB-UHFFFAOYSA-N
XLogP3.53
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)-5-formylpyrimidin-4-yl]oxyacetate
CID 58134482
ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-5-(hydroxymethyl)pyrimidin-4-yl]oxyacetate
CID 58134319
2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid
CID 58134461
sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine
CID 159742622
ethyl 2-[[6-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]acetate
CID 58134499
ethyl 2-[5-(4-chloro-3-fluorophenyl)-2-methylsulfonyl-1,2,4-triazol-3-yl]acetate
CID 139559199
2-[2-(4-chloro-3-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-2-ethylbutanoic acid
CID 58134463
ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
CID 135932177
ethyl 2-[2-[6-(2-chloroethoxy)naphthalen-2-yl]-6-phenylpyrimidin-4-yl]oxyacetate
CID 91990722
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
CID 134521692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate (CID 58134196) is ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate is CCOC(=O)COc1cc(Cl)nc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate?
The InChIKey is PCHKZHSWLZDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O3/c1-2-21-13(20)7-22-12-6-11(16)18-14(19-12)8-3-4-9(15)10(17)5-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate?
ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate has a molecular weight of 345.16 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate is sourced from PubChem (CID 58134196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).