ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate

C11H13N3O2S — CID 3214182

IUPACethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc2cccnc2n1C
InChIInChI=1S/C11H13N3O2S/c1-3-16-9(15)7-17-11-13-8-5-4-6-12-10(8)14(11)2/h4-6H,3,7H2,1-2H3
InChIKeyQPHCTLAVNIBUOZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.62
Rot. Bonds4

About ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate

ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate (PubChem CID 3214182) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
PubChem CID3214182
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Nameethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc2cccnc2n1C
InChIInChI=1S/C11H13N3O2S/c1-3-16-9(15)7-17-11-13-8-5-4-6-12-10(8)14(11)2/h4-6H,3,7H2,1-2H3
InChIKeyQPHCTLAVNIBUOZ-UHFFFAOYSA-N
XLogP1.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate (CID 3214182) is ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc2cccnc2n1C.
What is the InChIKey of ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
The InChIKey is QPHCTLAVNIBUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-16-9(15)7-17-11-13-8-5-4-6-12-10(8)14(11)2/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate has a molecular weight of 251.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate is sourced from PubChem (CID 3214182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).