6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid

C15H18N2O5 — CID 66600955

IUPAC6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(OCCOC3CCCCO3)ccc2n1
InChIInChI=1S/C15H18N2O5/c18-15(19)12-10-17-9-11(4-5-13(17)16-12)20-7-8-22-14-3-1-2-6-21-14/h4-5,9-10,14H,1-3,6-8H2,(H,18,19)
InChIKeyDRSXOSVGZLXUAU-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.95
Rot. Bonds6

About 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid

6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 66600955) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID66600955
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(OCCOC3CCCCO3)ccc2n1
InChIInChI=1S/C15H18N2O5/c18-15(19)12-10-17-9-11(4-5-13(17)16-12)20-7-8-22-14-3-1-2-6-21-14/h4-5,9-10,14H,1-3,6-8H2,(H,18,19)
InChIKeyDRSXOSVGZLXUAU-UHFFFAOYSA-N
XLogP1.95
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 66600955) is 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(OCCOC3CCCCO3)ccc2n1.
What is the InChIKey of 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is DRSXOSVGZLXUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-15(19)12-10-17-9-11(4-5-13(17)16-12)20-7-8-22-14-3-1-2-6-21-14/h4-5,9-10,14H,1-3,6-8H2,(H,18,19).
What are the key properties of 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxan-2-yloxy)ethoxy]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 66600955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).