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

C15H12N2O4 — CID 117256906

IUPAC3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(COc3cccc(O)c3)cnc12
InChIInChI=1S/C15H12N2O4/c18-11-3-1-4-12(7-11)21-9-10-8-16-14-13(15(19)20)5-2-6-17(10)14/h1-8,18H,9H2,(H,19,20)
InChIKeyIKXRFJQDTAIULG-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.32
Rot. Bonds4

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

3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117256906) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117256906
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(COc3cccc(O)c3)cnc12
InChIInChI=1S/C15H12N2O4/c18-11-3-1-4-12(7-11)21-9-10-8-16-14-13(15(19)20)5-2-6-17(10)14/h1-8,18H,9H2,(H,19,20)
InChIKeyIKXRFJQDTAIULG-UHFFFAOYSA-N
XLogP2.32
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256903
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193242
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256876
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
1-ethyl-5-[(3-hydroxyphenoxy)methyl]pyrazole-4-carboxylic acid
CID 117217970
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173
3-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methoxy]phenol
CID 117256214
2-[(3-hydroxyphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172973

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 117256906) is 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(COc3cccc(O)c3)cnc12.
What is the InChIKey of 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is IKXRFJQDTAIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-11-3-1-4-12(7-11)21-9-10-8-16-14-13(15(19)20)5-2-6-17(10)14/h1-8,18H,9H2,(H,19,20).
What are the key properties of 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117256906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).