3-fluoro-5-methoxypyridine-4-sulfonyl chloride

C6H5ClFNO3S — CID 55280692

IUPAC3-fluoro-5-methoxypyridine-4-sulfonyl chloride
SMILESCOc1cncc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClFNO3S/c1-12-5-3-9-2-4(8)6(5)13(7,10)11/h2-3H,1H3
InChIKeyQAGWLSLSNNOVHR-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.16
Rot. Bonds2

About 3-fluoro-5-methoxypyridine-4-sulfonyl chloride

3-fluoro-5-methoxypyridine-4-sulfonyl chloride (PubChem CID 55280692) has the molecular formula C6H5ClFNO3S and a molecular weight of 225.63 g/mol. Its IUPAC name is 3-fluoro-5-methoxypyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-5-methoxypyridine-4-sulfonyl chloride
PubChem CID55280692
Molecular FormulaC6H5ClFNO3S
Molecular Weight225.63 g/mol
Exact Mass224.97
IUPAC Name3-fluoro-5-methoxypyridine-4-sulfonyl chloride
SMILESCOc1cncc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClFNO3S/c1-12-5-3-9-2-4(8)6(5)13(7,10)11/h2-3H,1H3
InChIKeyQAGWLSLSNNOVHR-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxypyridine-4-sulfonyl chloride?
The IUPAC name of 3-fluoro-5-methoxypyridine-4-sulfonyl chloride (CID 55280692) is 3-fluoro-5-methoxypyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-fluoro-5-methoxypyridine-4-sulfonyl chloride?
The canonical SMILES for 3-fluoro-5-methoxypyridine-4-sulfonyl chloride is COc1cncc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-5-methoxypyridine-4-sulfonyl chloride?
The InChIKey is QAGWLSLSNNOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO3S/c1-12-5-3-9-2-4(8)6(5)13(7,10)11/h2-3H,1H3.
What are the key properties of 3-fluoro-5-methoxypyridine-4-sulfonyl chloride?
3-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 3-fluoro-5-methoxypyridine-4-sulfonyl chloride is sourced from PubChem (CID 55280692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).