2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid

C10H9ClN2O2 — CID 83839544

IUPAC2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESCc1nc(Cl)c2cccc(CC(=O)O)n12
InChIInChI=1S/C10H9ClN2O2/c1-6-12-10(11)8-4-2-3-7(13(6)8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyGRQOLDZJGVJVMZ-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.92
Rot. Bonds2

About 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid

2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid (PubChem CID 83839544) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
PubChem CID83839544
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESCc1nc(Cl)c2cccc(CC(=O)O)n12
InChIInChI=1S/C10H9ClN2O2/c1-6-12-10(11)8-4-2-3-7(13(6)8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyGRQOLDZJGVJVMZ-UHFFFAOYSA-N
XLogP1.92
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid (CID 83839544) is 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid is Cc1nc(Cl)c2cccc(CC(=O)O)n12.
What is the InChIKey of 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The InChIKey is GRQOLDZJGVJVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6-12-10(11)8-4-2-3-7(13(6)8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid?
2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid has a molecular weight of 224.65 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid is sourced from PubChem (CID 83839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).