ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate

C9H10BrFN2O3 — CID 81298303

IUPACethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1c(C)ncc(Br)c1=O
InChIInChI=1S/C9H10BrFN2O3/c1-3-16-9(15)7(11)13-5(2)12-4-6(10)8(13)14/h4,7H,3H2,1-2H3
InChIKeyZAOZYOKKWFDFLT-UHFFFAOYSA-N
MW293.09 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate

ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate (PubChem CID 81298303) has the molecular formula C9H10BrFN2O3 and a molecular weight of 293.09 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
PubChem CID81298303
Molecular FormulaC9H10BrFN2O3
Molecular Weight293.09 g/mol
Exact Mass291.99
IUPAC Nameethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1c(C)ncc(Br)c1=O
InChIInChI=1S/C9H10BrFN2O3/c1-3-16-9(15)7(11)13-5(2)12-4-6(10)8(13)14/h4,7H,3H2,1-2H3
InChIKeyZAOZYOKKWFDFLT-UHFFFAOYSA-N
XLogP1.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate (CID 81298303) is ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1c(C)ncc(Br)c1=O.
What is the InChIKey of ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
The InChIKey is ZAOZYOKKWFDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O3/c1-3-16-9(15)7(11)13-5(2)12-4-6(10)8(13)14/h4,7H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate has a molecular weight of 293.09 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81298303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).