6-fluoro-5-methoxypyridine-2-sulfonyl fluoride

C6H5F2NO3S — CID 167729653

IUPAC6-fluoro-5-methoxypyridine-2-sulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)nc1F
InChIInChI=1S/C6H5F2NO3S/c1-12-4-2-3-5(9-6(4)7)13(8,10)11/h2-3H,1H3
InChIKeyNQTWIMBFQMMTIE-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.89
Rot. Bonds2

About 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride

6-fluoro-5-methoxypyridine-2-sulfonyl fluoride (PubChem CID 167729653) has the molecular formula C6H5F2NO3S and a molecular weight of 209.17 g/mol. Its IUPAC name is 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride.

Molecular Properties

Compound Name6-fluoro-5-methoxypyridine-2-sulfonyl fluoride
PubChem CID167729653
Molecular FormulaC6H5F2NO3S
Molecular Weight209.17 g/mol
Exact Mass209.00
IUPAC Name6-fluoro-5-methoxypyridine-2-sulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)nc1F
InChIInChI=1S/C6H5F2NO3S/c1-12-4-2-3-5(9-6(4)7)13(8,10)11/h2-3H,1H3
InChIKeyNQTWIMBFQMMTIE-UHFFFAOYSA-N
XLogP0.89
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride?
The IUPAC name of 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride (CID 167729653) is 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride.
What is the SMILES notation for 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride?
The canonical SMILES for 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride is COc1ccc(S(=O)(=O)F)nc1F.
What is the InChIKey of 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride?
The InChIKey is NQTWIMBFQMMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3S/c1-12-4-2-3-5(9-6(4)7)13(8,10)11/h2-3H,1H3.
What are the key properties of 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride?
6-fluoro-5-methoxypyridine-2-sulfonyl fluoride has a molecular weight of 209.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxypyridine-2-sulfonyl fluoride is sourced from PubChem (CID 167729653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).