[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H8BrClFN3O3S — CID 168677345

IUPAC[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ncc(Br)c(Cl)n1
InChIInChI=1S/C9H8BrClFN3O3S/c10-6-2-13-9(14-8(6)11)15-3-5(1-7(15)16)4-19(12,17)18/h2,5H,1,3-4H2
InChIKeyLCVSMMRGEDTBAO-UHFFFAOYSA-N
MW372.60 g/mol
LogP1.54
Rot. Bonds3

About [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677345) has the molecular formula C9H8BrClFN3O3S and a molecular weight of 372.60 g/mol. Its IUPAC name is [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677345
Molecular FormulaC9H8BrClFN3O3S
Molecular Weight372.60 g/mol
Exact Mass370.91
IUPAC Name[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ncc(Br)c(Cl)n1
InChIInChI=1S/C9H8BrClFN3O3S/c10-6-2-13-9(14-8(6)11)15-3-5(1-7(15)16)4-19(12,17)18/h2,5H,1,3-4H2
InChIKeyLCVSMMRGEDTBAO-UHFFFAOYSA-N
XLogP1.54
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-bromo-1,2,4-triazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677351
[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677864
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691966
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
[1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676926
[1-(4-amino-5-bromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677750
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
[1-(2-bromo-4-chloro-6-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676817
[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677543
[1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676772

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677345) is [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1ncc(Br)c(Cl)n1.
What is the InChIKey of [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LCVSMMRGEDTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN3O3S/c10-6-2-13-9(14-8(6)11)15-3-5(1-7(15)16)4-19(12,17)18/h2,5H,1,3-4H2.
What are the key properties of [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 372.60 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).