(6-methyl-3-pyridinyl) thiophene-2-carboxylate

C11H9NO2S — CID 3360611

IUPAC(6-methyl-3-pyridinyl) thiophene-2-carboxylate
SMILESCc1ccc(OC(=O)c2cccs2)cn1
InChIInChI=1S/C11H9NO2S/c1-8-4-5-9(7-12-8)14-11(13)10-3-2-6-15-10/h2-7H,1H3
InChIKeyBLJRXJXOLZWTJS-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.67
Rot. Bonds2

About (6-methyl-3-pyridinyl) thiophene-2-carboxylate

(6-methyl-3-pyridinyl) thiophene-2-carboxylate (PubChem CID 3360611) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) thiophene-2-carboxylate
PubChem CID3360611
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name(6-methyl-3-pyridinyl) thiophene-2-carboxylate
SMILESCc1ccc(OC(=O)c2cccs2)cn1
InChIInChI=1S/C11H9NO2S/c1-8-4-5-9(7-12-8)14-11(13)10-3-2-6-15-10/h2-7H,1H3
InChIKeyBLJRXJXOLZWTJS-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) thiophene-2-carboxylate?
The IUPAC name of (6-methyl-3-pyridinyl) thiophene-2-carboxylate (CID 3360611) is (6-methyl-3-pyridinyl) thiophene-2-carboxylate.
What is the SMILES notation for (6-methyl-3-pyridinyl) thiophene-2-carboxylate?
The canonical SMILES for (6-methyl-3-pyridinyl) thiophene-2-carboxylate is Cc1ccc(OC(=O)c2cccs2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) thiophene-2-carboxylate?
The InChIKey is BLJRXJXOLZWTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-8-4-5-9(7-12-8)14-11(13)10-3-2-6-15-10/h2-7H,1H3.
What are the key properties of (6-methyl-3-pyridinyl) thiophene-2-carboxylate?
(6-methyl-3-pyridinyl) thiophene-2-carboxylate has a molecular weight of 219.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) thiophene-2-carboxylate is sourced from PubChem (CID 3360611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).