3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C15H11ClN2O3 — CID 117256903

IUPAC3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(COc3cccc(Cl)c3)cnc12
InChIInChI=1S/C15H11ClN2O3/c16-10-3-1-4-12(7-10)21-9-11-8-17-14-13(15(19)20)5-2-6-18(11)14/h1-8H,9H2,(H,19,20)
InChIKeyJILDJJPYKJTJIA-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.26
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid

3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117256903) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117256903
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(COc3cccc(Cl)c3)cnc12
InChIInChI=1S/C15H11ClN2O3/c16-10-3-1-4-12(7-10)21-9-11-8-17-14-13(15(19)20)5-2-6-18(11)14/h1-8H,9H2,(H,19,20)
InChIKeyJILDJJPYKJTJIA-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256906
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
4-[(3-chlorophenoxy)methyl]-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 75538620
3-[(3-chlorophenoxy)methyl]-1-methylindole-7-carboxylic acid
CID 117182146
5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303
4-[(3-chlorophenoxy)methyl]-1,2-thiazole-5-carboxylic acid
CID 117216468
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 117256903) is 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(COc3cccc(Cl)c3)cnc12.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is JILDJJPYKJTJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-10-3-1-4-12(7-10)21-9-11-8-17-14-13(15(19)20)5-2-6-18(11)14/h1-8H,9H2,(H,19,20).
What are the key properties of 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117256903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).