6-(hydroxymethyl)pyridine-3-sulfonyl chloride

C6H6ClNO3S — CID 59177257

IUPAC6-(hydroxymethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CO)nc1
InChIInChI=1S/C6H6ClNO3S/c7-12(10,11)6-2-1-5(4-9)8-3-6/h1-3,9H,4H2
InChIKeyVIGSGCLCUORZGR-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.50
Rot. Bonds2

About 6-(hydroxymethyl)pyridine-3-sulfonyl chloride

6-(hydroxymethyl)pyridine-3-sulfonyl chloride (PubChem CID 59177257) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is 6-(hydroxymethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(hydroxymethyl)pyridine-3-sulfonyl chloride
PubChem CID59177257
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name6-(hydroxymethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CO)nc1
InChIInChI=1S/C6H6ClNO3S/c7-12(10,11)6-2-1-5(4-9)8-3-6/h1-3,9H,4H2
InChIKeyVIGSGCLCUORZGR-UHFFFAOYSA-N
XLogP0.50
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(hydroxymethyl)pyridine-3-sulfonyl chloride (CID 59177257) is 6-(hydroxymethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(hydroxymethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(hydroxymethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(CO)nc1.
What is the InChIKey of 6-(hydroxymethyl)pyridine-3-sulfonyl chloride?
The InChIKey is VIGSGCLCUORZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c7-12(10,11)6-2-1-5(4-9)8-3-6/h1-3,9H,4H2.
What are the key properties of 6-(hydroxymethyl)pyridine-3-sulfonyl chloride?
6-(hydroxymethyl)pyridine-3-sulfonyl chloride has a molecular weight of 207.64 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 59177257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).