3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid

C9H8N2O3S — CID 21280356

IUPAC3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCS(=O)c1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C9H8N2O3S/c1-15(14)9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13)
InChIKeyKORRCGHLAUHOEF-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.77
Rot. Bonds2

About 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid

3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 21280356) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID21280356
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCS(=O)c1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C9H8N2O3S/c1-15(14)9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13)
InChIKeyKORRCGHLAUHOEF-UHFFFAOYSA-N
XLogP0.77
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 21280356) is 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid is CS(=O)c1nc(C(=O)O)c2ccccn12.
What is the InChIKey of 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KORRCGHLAUHOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-15(14)9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13).
What are the key properties of 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 21280356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).