5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid

C10H7ClN2O4 — CID 19701314

IUPAC5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)Cc1c(Cl)ccc2ncc(C(=O)O)n12
InChIInChI=1S/C10H7ClN2O4/c11-5-1-2-8-12-4-7(10(16)17)13(8)6(5)3-9(14)15/h1-2,4H,3H2,(H,14,15)(H,16,17)
InChIKeyLUJYITBQPCLILN-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.31
Rot. Bonds3

About 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid

5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 19701314) has the molecular formula C10H7ClN2O4 and a molecular weight of 254.63 g/mol. Its IUPAC name is 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID19701314
Molecular FormulaC10H7ClN2O4
Molecular Weight254.63 g/mol
Exact Mass254.01
IUPAC Name5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)Cc1c(Cl)ccc2ncc(C(=O)O)n12
InChIInChI=1S/C10H7ClN2O4/c11-5-1-2-8-12-4-7(10(16)17)13(8)6(5)3-9(14)15/h1-2,4H,3H2,(H,14,15)(H,16,17)
InChIKeyLUJYITBQPCLILN-UHFFFAOYSA-N
XLogP1.31
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 19701314) is 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)Cc1c(Cl)ccc2ncc(C(=O)O)n12.
What is the InChIKey of 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is LUJYITBQPCLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4/c11-5-1-2-8-12-4-7(10(16)17)13(8)6(5)3-9(14)15/h1-2,4H,3H2,(H,14,15)(H,16,17).
What are the key properties of 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 254.63 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19701314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).