methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate

C9H9N3O2S — CID 3694814

IUPACmethyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C9H9N3O2S/c1-14-7(13)5-15-9-11-6-3-2-4-10-8(6)12-9/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyGQWJLPNKEQLIIM-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate

methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate (PubChem CID 3694814) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
PubChem CID3694814
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Namemethyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C9H9N3O2S/c1-14-7(13)5-15-9-11-6-3-2-4-10-8(6)12-9/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyGQWJLPNKEQLIIM-UHFFFAOYSA-N
XLogP1.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
The IUPAC name of methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate (CID 3694814) is methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate.
What is the SMILES notation for methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
The canonical SMILES for methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate is COC(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
The InChIKey is GQWJLPNKEQLIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-14-7(13)5-15-9-11-6-3-2-4-10-8(6)12-9/h2-4H,5H2,1H3,(H,10,11,12).
What are the key properties of methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate has a molecular weight of 223.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate is sourced from PubChem (CID 3694814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).