2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine

C16H13F2N3O2S — CID 141360450

IUPAC2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine
SMILESCc1cnc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)cc1C
InChIInChI=1S/C16H13F2N3O2S/c1-10-8-14(20-9-11(10)2)24(22,23)21-7-5-13(17)15(21)12-4-3-6-19-16(12)18/h3-9H,1-2H3
InChIKeyNQMYDLHMLHGVQW-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.08
Rot. Bonds3

About 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine

2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine (PubChem CID 141360450) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine
PubChem CID141360450
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine
SMILESCc1cnc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)cc1C
InChIInChI=1S/C16H13F2N3O2S/c1-10-8-14(20-9-11(10)2)24(22,23)21-7-5-13(17)15(21)12-4-3-6-19-16(12)18/h3-9H,1-2H3
InChIKeyNQMYDLHMLHGVQW-UHFFFAOYSA-N
XLogP3.08
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Vonoprazan
CID 15981397
3-(1-Tosylpyrrolidin-2-yl)pyridine
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{2-[1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridin-3-yl]ethyl}dimethylamine, 15
CID 71463516
1,1,1-trifluoro-N-((1-(1-(pyridin-2-ylsulfonyl)-1H-indol-2-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 52949381
3-{1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738275
1-(4-Fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091613
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,3'']bipyridinyl
CID 10199643
4-(2-(4-fluorophenyl)-1H-pyrrol-1-yl)benzenesulfonamide
CID 10471014
4'',5''-Difluoro-2''-(6-methyl-pyridin-3-yl)-biphenyl-4-sulfonic acid amide
CID 10713528
4'',5''-Difluoro-2''-(5-methyl-pyridin-2-yl)-biphenyl-4-sulfonic acid amide
CID 10784741
1-[5-(2-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 16045147
1-[1-(benzenesulfonyl)-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 25002632

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine?
The IUPAC name of 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine (CID 141360450) is 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine.
What is the SMILES notation for 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine?
The canonical SMILES for 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine is Cc1cnc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)cc1C.
What is the InChIKey of 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine?
The InChIKey is NQMYDLHMLHGVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-10-8-14(20-9-11(10)2)24(22,23)21-7-5-13(17)15(21)12-4-3-6-19-16(12)18/h3-9H,1-2H3.
What are the key properties of 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine?
2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine has a molecular weight of 349.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2-fluoro-3-pyridinyl)pyrrol-1-yl]sulfonyl-4,5-dimethylpyridine is sourced from PubChem (CID 141360450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).