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

C13H9ClN2O2S — CID 117251715

IUPAC1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)c3cc(C(=O)O)ccn23)s1
InChIInChI=1S/C13H9ClN2O2S/c1-7-2-3-10(19-7)12-15-11(14)9-6-8(13(17)18)4-5-16(9)12/h2-6H,1H3,(H,17,18)
InChIKeyQVRFBGGHNJHDEZ-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.72
Rot. Bonds2

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

1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117251715) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117251715
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)c3cc(C(=O)O)ccn23)s1
InChIInChI=1S/C13H9ClN2O2S/c1-7-2-3-10(19-7)12-15-11(14)9-6-8(13(17)18)4-5-16(9)12/h2-6H,1H3,(H,17,18)
InChIKeyQVRFBGGHNJHDEZ-UHFFFAOYSA-N
XLogP3.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 117251715) is 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid is Cc1ccc(-c2nc(Cl)c3cc(C(=O)O)ccn23)s1.
What is the InChIKey of 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is QVRFBGGHNJHDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-7-2-3-10(19-7)12-15-11(14)9-6-8(13(17)18)4-5-16(9)12/h2-6H,1H3,(H,17,18).
What are the key properties of 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 292.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117251715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).