1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H11FN2O3S — CID 168714555

IUPAC1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1ccnc(N2CC(S(=O)(=O)F)CC2=O)c1
InChIInChI=1S/C10H11FN2O3S/c1-7-2-3-12-9(4-7)13-6-8(5-10(13)14)17(11,15)16/h2-4,8H,5-6H2,1H3
InChIKeyIKAKVUDTECVCOV-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.79
Rot. Bonds2

About 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714555) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714555
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1ccnc(N2CC(S(=O)(=O)F)CC2=O)c1
InChIInChI=1S/C10H11FN2O3S/c1-7-2-3-12-9(4-7)13-6-8(5-10(13)14)17(11,15)16/h2-4,8H,5-6H2,1H3
InChIKeyIKAKVUDTECVCOV-UHFFFAOYSA-N
XLogP0.79
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715532
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714553
1-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714494
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714455
1-(6-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714532
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714658
1-(4-iodo-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714313

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714555) is 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1ccnc(N2CC(S(=O)(=O)F)CC2=O)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IKAKVUDTECVCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c1-7-2-3-12-9(4-7)13-6-8(5-10(13)14)17(11,15)16/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 258.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).