(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite

C8H9ClN2OS — CID 176575477

IUPAC(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite
SMILESCC(=O)Nc1cnc(SCl)c(C)c1
InChIInChI=1S/C8H9ClN2OS/c1-5-3-7(11-6(2)12)4-10-8(5)13-9/h3-4H,1-2H3,(H,11,12)
InChIKeyQIIAROJKQDYODX-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.59
Rot. Bonds2

About (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite

(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite (PubChem CID 176575477) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite.

Molecular Properties

Compound Name(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite
PubChem CID176575477
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite
SMILESCC(=O)Nc1cnc(SCl)c(C)c1
InChIInChI=1S/C8H9ClN2OS/c1-5-3-7(11-6(2)12)4-10-8(5)13-9/h3-4H,1-2H3,(H,11,12)
InChIKeyQIIAROJKQDYODX-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite?
The IUPAC name of (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite (CID 176575477) is (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite.
What is the SMILES notation for (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite?
The canonical SMILES for (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite is CC(=O)Nc1cnc(SCl)c(C)c1.
What is the InChIKey of (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite?
The InChIKey is QIIAROJKQDYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-5-3-7(11-6(2)12)4-10-8(5)13-9/h3-4H,1-2H3,(H,11,12).
What are the key properties of (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite?
(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite has a molecular weight of 216.69 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite is sourced from PubChem (CID 176575477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).