1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H8FN3O5S — CID 168715540

IUPAC1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H8FN3O5S/c10-19(17,18)7-3-9(14)12(5-7)8-2-1-6(4-11-8)13(15)16/h1-2,4,7H,3,5H2
InChIKeyHDTLNAVSZINBOH-UHFFFAOYSA-N
MW289.24 g/mol
LogP0.39
Rot. Bonds3

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

1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715540) has the molecular formula C9H8FN3O5S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715540
Molecular FormulaC9H8FN3O5S
Molecular Weight289.24 g/mol
Exact Mass289.02
IUPAC Name1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H8FN3O5S/c10-19(17,18)7-3-9(14)12(5-7)8-2-1-6(4-11-8)13(15)16/h1-2,4,7H,3,5H2
InChIKeyHDTLNAVSZINBOH-UHFFFAOYSA-N
XLogP0.39
TPSA110.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715645
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714455
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715355
methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694771
1-(2,6-dinitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715280
1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712669

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715540) is 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HDTLNAVSZINBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O5S/c10-19(17,18)7-3-9(14)12(5-7)8-2-1-6(4-11-8)13(15)16/h1-2,4,7H,3,5H2.
What are the key properties of 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 289.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).