2-fluoro-5-methoxypyridine-4-sulfonyl chloride

C6H5ClFNO3S — CID 55280578

IUPAC2-fluoro-5-methoxypyridine-4-sulfonyl chloride
SMILESCOc1cnc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClFNO3S/c1-12-4-3-9-6(8)2-5(4)13(7,10)11/h2-3H,1H3
InChIKeyBYKLUISAXHDROA-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.16
Rot. Bonds2

About 2-fluoro-5-methoxypyridine-4-sulfonyl chloride

2-fluoro-5-methoxypyridine-4-sulfonyl chloride (PubChem CID 55280578) has the molecular formula C6H5ClFNO3S and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-fluoro-5-methoxypyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-5-methoxypyridine-4-sulfonyl chloride
PubChem CID55280578
Molecular FormulaC6H5ClFNO3S
Molecular Weight225.63 g/mol
Exact Mass224.97
IUPAC Name2-fluoro-5-methoxypyridine-4-sulfonyl chloride
SMILESCOc1cnc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClFNO3S/c1-12-4-3-9-6(8)2-5(4)13(7,10)11/h2-3H,1H3
InChIKeyBYKLUISAXHDROA-UHFFFAOYSA-N
XLogP1.16
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.16
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 2-fluoro-5-methoxypyridine-4-sulfonyl chloride?
The IUPAC name of 2-fluoro-5-methoxypyridine-4-sulfonyl chloride (CID 55280578) is 2-fluoro-5-methoxypyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-fluoro-5-methoxypyridine-4-sulfonyl chloride?
The canonical SMILES for 2-fluoro-5-methoxypyridine-4-sulfonyl chloride is COc1cnc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-fluoro-5-methoxypyridine-4-sulfonyl chloride?
The InChIKey is BYKLUISAXHDROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO3S/c1-12-4-3-9-6(8)2-5(4)13(7,10)11/h2-3H,1H3.
What are the key properties of 2-fluoro-5-methoxypyridine-4-sulfonyl chloride?
2-fluoro-5-methoxypyridine-4-sulfonyl chloride has a molecular weight of 225.63 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxypyridine-4-sulfonyl chloride is sourced from PubChem (CID 55280578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).