3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid

C11H11ClN2O2 — CID 83842801

IUPAC3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid
SMILESCC(Cc1cccn2c(Cl)cnc12)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-7(11(15)16)5-8-3-2-4-14-9(12)6-13-10(8)14/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyMPHLOYFTXXJXNV-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.25
Rot. Bonds3

About 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid

3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid (PubChem CID 83842801) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid
PubChem CID83842801
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid
SMILESCC(Cc1cccn2c(Cl)cnc12)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-7(11(15)16)5-8-3-2-4-14-9(12)6-13-10(8)14/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyMPHLOYFTXXJXNV-UHFFFAOYSA-N
XLogP2.25
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid (CID 83842801) is 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid is CC(Cc1cccn2c(Cl)cnc12)C(=O)O.
What is the InChIKey of 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid?
The InChIKey is MPHLOYFTXXJXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(11(15)16)5-8-3-2-4-14-9(12)6-13-10(8)14/h2-4,6-7H,5H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid?
3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83842801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).