1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H8BrFN2O3S — CID 168715532

IUPAC1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(Br)cn1
InChIInChI=1S/C9H8BrFN2O3S/c10-6-1-2-8(12-4-6)13-5-7(3-9(13)14)17(11,15)16/h1-2,4,7H,3,5H2
InChIKeyNHVKBZBOPAANCI-UHFFFAOYSA-N
MW323.14 g/mol
LogP1.25
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715532) has the molecular formula C9H8BrFN2O3S and a molecular weight of 323.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715532
Molecular FormulaC9H8BrFN2O3S
Molecular Weight323.14 g/mol
Exact Mass321.94
IUPAC Name1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(Br)cn1
InChIInChI=1S/C9H8BrFN2O3S/c10-6-1-2-8(12-4-6)13-5-7(3-9(13)14)17(11,15)16/h1-2,4,7H,3,5H2
InChIKeyNHVKBZBOPAANCI-UHFFFAOYSA-N
XLogP1.25
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714145
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-[4-(4-bromophenoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715505
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712510
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715532) is 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is NHVKBZBOPAANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O3S/c10-6-1-2-8(12-4-6)13-5-7(3-9(13)14)17(11,15)16/h1-2,4,7H,3,5H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 323.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).