2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid

C11H10N2O4 — CID 102605782

IUPAC2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OC2COC2)nc2ccccn12
InChIInChI=1S/C11H10N2O4/c14-11(15)9-10(17-7-5-16-6-7)12-8-3-1-2-4-13(8)9/h1-4,7H,5-6H2,(H,14,15)
InChIKeySQVJXVUAUFOQDU-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.81
Rot. Bonds3

About 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 102605782) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID102605782
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OC2COC2)nc2ccccn12
InChIInChI=1S/C11H10N2O4/c14-11(15)9-10(17-7-5-16-6-7)12-8-3-1-2-4-13(8)9/h1-4,7H,5-6H2,(H,14,15)
InChIKeySQVJXVUAUFOQDU-UHFFFAOYSA-N
XLogP0.81
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methoxyimidazo(1,2-a)pyridine-2-carboxylic acid
CID 20072837
7-Methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55262363
6-Methoxyimidazo(1,2-a)pyridine-2-carboxylic acid
CID 71742668
7-(3,3,3-Trifluoropropoxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118661391
7-(1,3-Difluoropropan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118661429
7-(2,2-Difluoroethoxy)imidazo[1,2-A]pyridine-3-carboxylic acid
CID 118661528
Methyl 2-methoxy-1-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-1-ium-3-carboxylate
CID 142458466
3-Methoxycarbonyl-1-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-1-ium-2-olate
CID 146547602
Lithium 2-oxido-1-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-1-ium-3-carboxylate
CID 146547610
6-Fluoro-8-(2-methoxyethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 154069598
8-Ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 154436478
8-[2-(Dimethylamino)ethoxy]-6-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 154436482

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 102605782) is 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(OC2COC2)nc2ccccn12.
What is the InChIKey of 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is SQVJXVUAUFOQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-11(15)9-10(17-7-5-16-6-7)12-8-3-1-2-4-13(8)9/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 102605782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).