2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C15H11ClN2O2 — CID 117132642

IUPAC2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Cc3cccc(Cl)c3)cn12
InChIInChI=1S/C15H11ClN2O2/c16-11-4-1-3-10(7-11)8-12-9-18-13(15(19)20)5-2-6-14(18)17-12/h1-7,9H,8H2,(H,19,20)
InChIKeyQZGXOPFLCJFFAQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.28
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117132642) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117132642
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Cc3cccc(Cl)c3)cn12
InChIInChI=1S/C15H11ClN2O2/c16-11-4-1-3-10(7-11)8-12-9-18-13(15(19)20)5-2-6-14(18)17-12/h1-7,9H,8H2,(H,19,20)
InChIKeyQZGXOPFLCJFFAQ-UHFFFAOYSA-N
XLogP3.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 117132642) is 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(Cc3cccc(Cl)c3)cn12.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is QZGXOPFLCJFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-4-1-3-10(7-11)8-12-9-18-13(15(19)20)5-2-6-14(18)17-12/h1-7,9H,8H2,(H,19,20).
What are the key properties of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117132642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).