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

C12H14N2O3S — CID 117129794

IUPAC2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
SMILESO=S1(=O)CCCC1Cc1cn2cc(O)ccc2n1
InChIInChI=1S/C12H14N2O3S/c15-10-3-4-12-13-9(7-14(12)8-10)6-11-2-1-5-18(11,16)17/h3-4,7-8,11,15H,1-2,5-6H2
InChIKeyFWDILVFGNFMQLJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.16
Rot. Bonds2

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

2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol (PubChem CID 117129794) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
PubChem CID117129794
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
SMILESO=S1(=O)CCCC1Cc1cn2cc(O)ccc2n1
InChIInChI=1S/C12H14N2O3S/c15-10-3-4-12-13-9(7-14(12)8-10)6-11-2-1-5-18(11,16)17/h3-4,7-8,11,15H,1-2,5-6H2
InChIKeyFWDILVFGNFMQLJ-UHFFFAOYSA-N
XLogP1.16
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117129937
2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129225
2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
CID 117129650
2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
CID 117129235
2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129838
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-(2-hydroxyethyl)imidazo[1,2-a]pyridin-6-ol
CID 115015092
2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136819
2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117136792
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157950
2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 131519071
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115083178

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
The IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol (CID 117129794) is 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol is O=S1(=O)CCCC1Cc1cn2cc(O)ccc2n1.
What is the InChIKey of 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
The InChIKey is FWDILVFGNFMQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-10-3-4-12-13-9(7-14(12)8-10)6-11-2-1-5-18(11,16)17/h3-4,7-8,11,15H,1-2,5-6H2.
What are the key properties of 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol?
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol has a molecular weight of 266.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 117129794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).