1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid

C13H9ClN2O2S — CID 117252076

IUPAC1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(Cc3cccs3)nc(Cl)c2c1
InChIInChI=1S/C13H9ClN2O2S/c14-12-10-6-8(13(17)18)3-4-16(10)11(15-12)7-9-2-1-5-19-9/h1-6H,7H2,(H,17,18)
InChIKeySHZVGPZPJOLITI-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.34
Rot. Bonds3

About 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117252076) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117252076
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(Cc3cccs3)nc(Cl)c2c1
InChIInChI=1S/C13H9ClN2O2S/c14-12-10-6-8(13(17)18)3-4-16(10)11(15-12)7-9-2-1-5-19-9/h1-6H,7H2,(H,17,18)
InChIKeySHZVGPZPJOLITI-UHFFFAOYSA-N
XLogP3.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 117252076) is 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(Cc3cccs3)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is SHZVGPZPJOLITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-12-10-6-8(13(17)18)3-4-16(10)11(15-12)7-9-2-1-5-19-9/h1-6H,7H2,(H,17,18).
What are the key properties of 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 292.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117252076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).