1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H10FN3O5S — CID 168714455

IUPAC1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nc(N2CC(S(=O)(=O)F)CC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10FN3O5S/c1-6-8(14(16)17)2-3-9(12-6)13-5-7(4-10(13)15)20(11,18)19/h2-3,7H,4-5H2,1H3
InChIKeyALYHGUSCFSQDKT-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.70
Rot. Bonds3

About 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714455) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714455
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nc(N2CC(S(=O)(=O)F)CC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10FN3O5S/c1-6-8(14(16)17)2-3-9(12-6)13-5-7(4-10(13)15)20(11,18)19/h2-3,7H,4-5H2,1H3
InChIKeyALYHGUSCFSQDKT-UHFFFAOYSA-N
XLogP0.70
TPSA110.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.70
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-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711787
4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168688188
1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
1-(2,6-dinitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715280
1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711783
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-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
CID 168716040

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714455) is 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1nc(N2CC(S(=O)(=O)F)CC2=O)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ALYHGUSCFSQDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c1-6-8(14(16)17)2-3-9(12-6)13-5-7(4-10(13)15)20(11,18)19/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 303.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).