methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate

C11H9NO2S — CID 58622580

IUPACmethyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate
SMILESC=Cc1cncc2sc(C(=O)OC)cc12
InChIInChI=1S/C11H9NO2S/c1-3-7-5-12-6-10-8(7)4-9(15-10)11(13)14-2/h3-6H,1H2,2H3
InChIKeyQPLACUYIJUGCID-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.73
Rot. Bonds2

About methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate

methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate (PubChem CID 58622580) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate
PubChem CID58622580
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Namemethyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate
SMILESC=Cc1cncc2sc(C(=O)OC)cc12
InChIInChI=1S/C11H9NO2S/c1-3-7-5-12-6-10-8(7)4-9(15-10)11(13)14-2/h3-6H,1H2,2H3
InChIKeyQPLACUYIJUGCID-UHFFFAOYSA-N
XLogP2.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate (CID 58622580) is methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate is C=Cc1cncc2sc(C(=O)OC)cc12.
What is the InChIKey of methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is QPLACUYIJUGCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-3-7-5-12-6-10-8(7)4-9(15-10)11(13)14-2/h3-6H,1H2,2H3.
What are the key properties of methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate?
methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 219.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 58622580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).