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

C9H8N2O2S — CID 11837347

IUPAC3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCSc1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13)
InChIKeyYDPHJPDQTIHHKC-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.75
Rot. Bonds2

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

3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 11837347) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID11837347
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCSc1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13)
InChIKeyYDPHJPDQTIHHKC-UHFFFAOYSA-N
XLogP1.75
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 11837347) is 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid is CSc1nc(C(=O)O)c2ccccn12.
What is the InChIKey of 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is YDPHJPDQTIHHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13).
What are the key properties of 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 11837347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).