5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride

C11H10FN3O3S — CID 168716150

IUPAC5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cnc2[nH]ccc2c1
InChIInChI=1S/C11H10FN3O3S/c12-19(17,18)9-4-10(16)15(6-9)8-3-7-1-2-13-11(7)14-5-8/h1-3,5,9H,4,6H2,(H,13,14)
InChIKeyUEDOULCOVYLORP-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.97
Rot. Bonds2

About 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168716150) has the molecular formula C11H10FN3O3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168716150
Molecular FormulaC11H10FN3O3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cnc2[nH]ccc2c1
InChIInChI=1S/C11H10FN3O3S/c12-19(17,18)9-4-10(16)15(6-9)8-3-7-1-2-13-11(7)14-5-8/h1-3,5,9H,4,6H2,(H,13,14)
InChIKeyUEDOULCOVYLORP-UHFFFAOYSA-N
XLogP0.97
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713786
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716295
4-(hydroxymethyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pyrrolidin-2-one
CID 166365379
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride (CID 168716150) is 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cnc2[nH]ccc2c1.
What is the InChIKey of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is UEDOULCOVYLORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3S/c12-19(17,18)9-4-10(16)15(6-9)8-3-7-1-2-13-11(7)14-5-8/h1-3,5,9H,4,6H2,(H,13,14).
What are the key properties of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 283.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).