2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine

C11H9FN2O4S2 — CID 160729844

IUPAC2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine
SMILESCc1sc(S(=O)(=O)Cc2cccc(F)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN2O4S2/c1-7-9(14(15)16)5-11(19-7)20(17,18)6-8-3-2-4-10(12)13-8/h2-5H,6H2,1H3
InChIKeyRUENXWVQCHIJKB-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.47
Rot. Bonds4

About 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine

2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine (PubChem CID 160729844) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine
PubChem CID160729844
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Name2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine
SMILESCc1sc(S(=O)(=O)Cc2cccc(F)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN2O4S2/c1-7-9(14(15)16)5-11(19-7)20(17,18)6-8-3-2-4-10(12)13-8/h2-5H,6H2,1H3
InChIKeyRUENXWVQCHIJKB-UHFFFAOYSA-N
XLogP2.47
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80742638
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80730863
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272
N-[3-(carbamoylamino)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 31814497
5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106049683
N-[(2,4-difluoro-5-nitrophenyl)methyl]-6-fluoropyridin-2-amine
CID 116812899
N-[2-(2-methyl-6-nitroanilino)ethyl]methanesulfonamide
CID 78918376
3-iodo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 106494629
5-ethyl-4-nitrothiophene-2-sulfonic acid
CID 87798792
2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
CID 22506600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine?
The IUPAC name of 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine (CID 160729844) is 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine.
What is the SMILES notation for 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine?
The canonical SMILES for 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine is Cc1sc(S(=O)(=O)Cc2cccc(F)n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine?
The InChIKey is RUENXWVQCHIJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c1-7-9(14(15)16)5-11(19-7)20(17,18)6-8-3-2-4-10(12)13-8/h2-5H,6H2,1H3.
What are the key properties of 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine?
2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine has a molecular weight of 316.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-methyl-4-nitrothiophen-2-yl)sulfonylmethyl]pyridine is sourced from PubChem (CID 160729844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).