1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H9BrClFN2O3S — CID 168714445

IUPAC1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nc(Cl)c(N2CC(S(=O)(=O)F)CC2=O)cc1Br
InChIInChI=1S/C10H9BrClFN2O3S/c1-5-7(11)3-8(10(12)14-5)15-4-6(2-9(15)16)19(13,17)18/h3,6H,2,4H2,1H3
InChIKeyYUWLJPUHLGBEPV-UHFFFAOYSA-N
MW371.62 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714445) has the molecular formula C10H9BrClFN2O3S and a molecular weight of 371.62 g/mol. Its IUPAC name is 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714445
Molecular FormulaC10H9BrClFN2O3S
Molecular Weight371.62 g/mol
Exact Mass369.92
IUPAC Name1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nc(Cl)c(N2CC(S(=O)(=O)F)CC2=O)cc1Br
InChIInChI=1S/C10H9BrClFN2O3S/c1-5-7(11)3-8(10(12)14-5)15-4-6(2-9(15)16)19(13,17)18/h3,6H,2,4H2,1H3
InChIKeyYUWLJPUHLGBEPV-UHFFFAOYSA-N
XLogP2.21
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
1-(4-bromo-5-chloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715203
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714553
1-(6-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714532
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(4-bromo-6-chloropyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715793
1-(2-amino-5-chloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714295
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714445) is 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1nc(Cl)c(N2CC(S(=O)(=O)F)CC2=O)cc1Br.
What is the InChIKey of 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is YUWLJPUHLGBEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2O3S/c1-5-7(11)3-8(10(12)14-5)15-4-6(2-9(15)16)19(13,17)18/h3,6H,2,4H2,1H3.
What are the key properties of 1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 371.62 g/mol, XLogP of 2.21, 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-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).