5-methylpyridine-3-sulfonyl fluoride

C6H6FNO2S — CID 139593198

IUPAC5-methylpyridine-3-sulfonyl fluoride
SMILESCc1cncc(S(=O)(=O)F)c1
InChIInChI=1S/C6H6FNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3
InChIKeyKISPULJHBMNANP-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.05
Rot. Bonds1

About 5-methylpyridine-3-sulfonyl fluoride

5-methylpyridine-3-sulfonyl fluoride (PubChem CID 139593198) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-methylpyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-methylpyridine-3-sulfonyl fluoride
PubChem CID139593198
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Name5-methylpyridine-3-sulfonyl fluoride
SMILESCc1cncc(S(=O)(=O)F)c1
InChIInChI=1S/C6H6FNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3
InChIKeyKISPULJHBMNANP-UHFFFAOYSA-N
XLogP1.05
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-3-sulfonyl fluoride?
The IUPAC name of 5-methylpyridine-3-sulfonyl fluoride (CID 139593198) is 5-methylpyridine-3-sulfonyl fluoride.
What is the SMILES notation for 5-methylpyridine-3-sulfonyl fluoride?
The canonical SMILES for 5-methylpyridine-3-sulfonyl fluoride is Cc1cncc(S(=O)(=O)F)c1.
What is the InChIKey of 5-methylpyridine-3-sulfonyl fluoride?
The InChIKey is KISPULJHBMNANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3.
What are the key properties of 5-methylpyridine-3-sulfonyl fluoride?
5-methylpyridine-3-sulfonyl fluoride has a molecular weight of 175.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-3-sulfonyl fluoride is sourced from PubChem (CID 139593198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).