methyl 5-pyridin-2-ylthiophene-2-carboxylate

C11H9NO2S — CID 2819962

IUPACmethyl 5-pyridin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C11H9NO2S/c1-14-11(13)10-6-5-9(15-10)8-4-2-3-7-12-8/h2-7H,1H3
InChIKeyWFJYHWUNVCDIOW-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.60
Rot. Bonds2

About methyl 5-pyridin-2-ylthiophene-2-carboxylate

methyl 5-pyridin-2-ylthiophene-2-carboxylate (PubChem CID 2819962) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is methyl 5-pyridin-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-pyridin-2-ylthiophene-2-carboxylate
PubChem CID2819962
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Namemethyl 5-pyridin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C11H9NO2S/c1-14-11(13)10-6-5-9(15-10)8-4-2-3-7-12-8/h2-7H,1H3
InChIKeyWFJYHWUNVCDIOW-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-pyridin-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 5-pyridin-2-ylthiophene-2-carboxylate (CID 2819962) is methyl 5-pyridin-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-pyridin-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-pyridin-2-ylthiophene-2-carboxylate is COC(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of methyl 5-pyridin-2-ylthiophene-2-carboxylate?
The InChIKey is WFJYHWUNVCDIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-11(13)10-6-5-9(15-10)8-4-2-3-7-12-8/h2-7H,1H3.
What are the key properties of methyl 5-pyridin-2-ylthiophene-2-carboxylate?
methyl 5-pyridin-2-ylthiophene-2-carboxylate has a molecular weight of 219.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-pyridin-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 2819962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).