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

C9H9ClFN3O3S — CID 168715376

IUPAC1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1ccc(Cl)nc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H9ClFN3O3S/c10-7-2-1-6(12)9(13-7)14-4-5(3-8(14)15)18(11,16)17/h1-2,5H,3-4,12H2
InChIKeyQGPBVBNGUUEZGM-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.72
Rot. Bonds2

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

1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715376) has the molecular formula C9H9ClFN3O3S and a molecular weight of 293.71 g/mol. Its IUPAC name is 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715376
Molecular FormulaC9H9ClFN3O3S
Molecular Weight293.71 g/mol
Exact Mass293.00
IUPAC Name1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1ccc(Cl)nc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H9ClFN3O3S/c10-7-2-1-6(12)9(13-7)14-4-5(3-8(14)15)18(11,16)17/h1-2,5H,3-4,12H2
InChIKeyQGPBVBNGUUEZGM-UHFFFAOYSA-N
XLogP0.72
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
1-(4-bromo-6-chloropyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715793
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715246
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
1-(6-bromo-2-chloroquinazolin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715841
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715839
1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714245

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715376) is 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Nc1ccc(Cl)nc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is QGPBVBNGUUEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O3S/c10-7-2-1-6(12)9(13-7)14-4-5(3-8(14)15)18(11,16)17/h1-2,5H,3-4,12H2.
What are the key properties of 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 293.71 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).