[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H11ClFN3O3S — CID 168677543

IUPAC[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNc1cc(Cl)cnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H11ClFN3O3S/c11-7-2-8(13)10(14-3-7)15-4-6(1-9(15)16)5-19(12,17)18/h2-3,6H,1,4-5,13H2
InChIKeyFDIIWXHTZGCUJM-UHFFFAOYSA-N
MW307.73 g/mol
LogP0.97
Rot. Bonds3

About [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677543) has the molecular formula C10H11ClFN3O3S and a molecular weight of 307.73 g/mol. Its IUPAC name is [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677543
Molecular FormulaC10H11ClFN3O3S
Molecular Weight307.73 g/mol
Exact Mass307.02
IUPAC Name[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNc1cc(Cl)cnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H11ClFN3O3S/c11-7-2-8(13)10(14-3-7)15-4-6(1-9(15)16)5-19(12,17)18/h2-3,6H,1,4-5,13H2
InChIKeyFDIIWXHTZGCUJM-UHFFFAOYSA-N
XLogP0.97
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682856
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
[1-(2-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676959
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(2,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677197
[1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677754
[1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676926

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677543) is [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Nc1cc(Cl)cnc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is FDIIWXHTZGCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O3S/c11-7-2-8(13)10(14-3-7)15-4-6(1-9(15)16)5-19(12,17)18/h2-3,6H,1,4-5,13H2.
What are the key properties of [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 307.73 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).