2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol

C13H16N2O3S — CID 117129225

IUPAC2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
SMILESO=S1(=O)CCC(Cc2cn3cc(O)ccc3n2)CC1
InChIInChI=1S/C13H16N2O3S/c16-12-1-2-13-14-11(8-15(13)9-12)7-10-3-5-19(17,18)6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyFUNMYUSIKRJYFZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds2

About 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol

2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol (PubChem CID 117129225) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
PubChem CID117129225
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
SMILESO=S1(=O)CCC(Cc2cn3cc(O)ccc3n2)CC1
InChIInChI=1S/C13H16N2O3S/c16-12-1-2-13-14-11(8-15(13)9-12)7-10-3-5-19(17,18)6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyFUNMYUSIKRJYFZ-UHFFFAOYSA-N
XLogP1.41
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
CID 117129235
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129794
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117129230
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
2-(2-hydroxyethyl)imidazo[1,2-a]pyridin-6-ol
CID 115015092
2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129838
2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
CID 117129650
2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 131519071
6-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117129102
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117129937
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
methyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 131340084

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol (CID 117129225) is 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol is O=S1(=O)CCC(Cc2cn3cc(O)ccc3n2)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
The InChIKey is FUNMYUSIKRJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12-1-2-13-14-11(8-15(13)9-12)7-10-3-5-19(17,18)6-4-10/h1-2,8-10,16H,3-7H2.
What are the key properties of 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol has a molecular weight of 280.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 117129225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).