3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid

C15H12N2O3 — CID 7063877

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19)
InChIKeyROUKEPGFOKOYLW-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.61
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid (PubChem CID 7063877) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
PubChem CID7063877
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19)
InChIKeyROUKEPGFOKOYLW-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid (CID 7063877) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid is O=C(O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
The InChIKey is ROUKEPGFOKOYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 7063877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).