2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine

C15H11F2N3O3S — CID 141360437

IUPAC2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)nc1
InChIInChI=1S/C15H11F2N3O3S/c1-23-10-4-5-13(19-9-10)24(21,22)20-8-6-12(16)14(20)11-3-2-7-18-15(11)17/h2-9H,1H3
InChIKeyGDGJANVHNCHYPB-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.47
Rot. Bonds4

About 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine

2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine (PubChem CID 141360437) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
PubChem CID141360437
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC Name2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)nc1
InChIInChI=1S/C15H11F2N3O3S/c1-23-10-4-5-13(19-9-10)24(21,22)20-8-6-12(16)14(20)11-3-2-7-18-15(11)17/h2-9H,1H3
InChIKeyGDGJANVHNCHYPB-UHFFFAOYSA-N
XLogP2.47
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
The IUPAC name of 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine (CID 141360437) is 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine is COc1ccc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)nc1.
What is the InChIKey of 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
The InChIKey is GDGJANVHNCHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c1-23-10-4-5-13(19-9-10)24(21,22)20-8-6-12(16)14(20)11-3-2-7-18-15(11)17/h2-9H,1H3.
What are the key properties of 2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
2-fluoro-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine has a molecular weight of 351.33 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-3-[3-fluoro-1-[(5-methoxy-2-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine is sourced from PubChem (CID 141360437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).