2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid

C11H11ClN2O2S — CID 4280898

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
SMILESCC(SCc1cn2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C11H11ClN2O2S/c1-7(11(15)16)17-6-9-5-14-4-8(12)2-3-10(14)13-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyWQVGIRBMIYUPEZ-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.69
Rot. Bonds4

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid (PubChem CID 4280898) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
PubChem CID4280898
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
SMILESCC(SCc1cn2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C11H11ClN2O2S/c1-7(11(15)16)17-6-9-5-14-4-8(12)2-3-10(14)13-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyWQVGIRBMIYUPEZ-UHFFFAOYSA-N
XLogP2.69
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid (CID 4280898) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid is CC(SCc1cn2cc(Cl)ccc2n1)C(=O)O.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
The InChIKey is WQVGIRBMIYUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-7(11(15)16)17-6-9-5-14-4-8(12)2-3-10(14)13-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid has a molecular weight of 270.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 4280898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).