6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid

C11H11ClN2O2 — CID 83869343

IUPAC6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c2ccc(Cl)cn12
InChIInChI=1S/C11H11ClN2O2/c1-6(2)10-13-9(11(15)16)8-4-3-7(12)5-14(8)10/h3-6H,1-2H3,(H,15,16)
InChIKeyWXXQONILZGGSQL-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.81
Rot. Bonds2

About 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid

6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 83869343) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID83869343
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c2ccc(Cl)cn12
InChIInChI=1S/C11H11ClN2O2/c1-6(2)10-13-9(11(15)16)8-4-3-7(12)5-14(8)10/h3-6H,1-2H3,(H,15,16)
InChIKeyWXXQONILZGGSQL-UHFFFAOYSA-N
XLogP2.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 83869343) is 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid is CC(C)c1nc(C(=O)O)c2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WXXQONILZGGSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6(2)10-13-9(11(15)16)8-4-3-7(12)5-14(8)10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 238.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 83869343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).