6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C11H12N2O2S — CID 117255410

IUPAC6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCSCc1nc(C(=O)O)c2ccc(C)cn12
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-8-10(11(14)15)12-9(6-16-2)13(8)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyKMBXEMHTFXIMCU-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.20
Rot. Bonds3

About 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255410) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255410
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCSCc1nc(C(=O)O)c2ccc(C)cn12
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-8-10(11(14)15)12-9(6-16-2)13(8)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyKMBXEMHTFXIMCU-UHFFFAOYSA-N
XLogP2.20
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255410) is 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CSCc1nc(C(=O)O)c2ccc(C)cn12.
What is the InChIKey of 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KMBXEMHTFXIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-3-4-8-10(11(14)15)12-9(6-16-2)13(8)5-7/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).