pyridin-2-yl thiophene-2-carboxylate

C10H7NO2S — CID 844432

IUPACpyridin-2-yl thiophene-2-carboxylate
SMILESO=C(Oc1ccccn1)c1cccs1
InChIInChI=1S/C10H7NO2S/c12-10(8-4-3-7-14-8)13-9-5-1-2-6-11-9/h1-7H
InChIKeyFDFYMYMTXXSBJM-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.36
Rot. Bonds2

About pyridin-2-yl thiophene-2-carboxylate

pyridin-2-yl thiophene-2-carboxylate (PubChem CID 844432) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is pyridin-2-yl thiophene-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-yl thiophene-2-carboxylate
PubChem CID844432
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Namepyridin-2-yl thiophene-2-carboxylate
SMILESO=C(Oc1ccccn1)c1cccs1
InChIInChI=1S/C10H7NO2S/c12-10(8-4-3-7-14-8)13-9-5-1-2-6-11-9/h1-7H
InChIKeyFDFYMYMTXXSBJM-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl thiophene-2-carboxylate?
The IUPAC name of pyridin-2-yl thiophene-2-carboxylate (CID 844432) is pyridin-2-yl thiophene-2-carboxylate.
What is the SMILES notation for pyridin-2-yl thiophene-2-carboxylate?
The canonical SMILES for pyridin-2-yl thiophene-2-carboxylate is O=C(Oc1ccccn1)c1cccs1.
What is the InChIKey of pyridin-2-yl thiophene-2-carboxylate?
The InChIKey is FDFYMYMTXXSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(8-4-3-7-14-8)13-9-5-1-2-6-11-9/h1-7H.
What are the key properties of pyridin-2-yl thiophene-2-carboxylate?
pyridin-2-yl thiophene-2-carboxylate has a molecular weight of 205.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl thiophene-2-carboxylate is sourced from PubChem (CID 844432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).