pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate

C14H12N2O2S — CID 141131376

IUPACpyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCc1ccccn1)N1C=CC2=CCSC2=C1
InChIInChI=1S/C14H12N2O2S/c17-14(18-10-12-3-1-2-6-15-12)16-7-4-11-5-8-19-13(11)9-16/h1-7,9H,8,10H2
InChIKeyAWYMDVAIBXYRNO-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.06
Rot. Bonds2

About pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate

pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 141131376) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID141131376
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Namepyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCc1ccccn1)N1C=CC2=CCSC2=C1
InChIInChI=1S/C14H12N2O2S/c17-14(18-10-12-3-1-2-6-15-12)16-7-4-11-5-8-19-13(11)9-16/h1-7,9H,8,10H2
InChIKeyAWYMDVAIBXYRNO-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate (CID 141131376) is pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate is O=C(OCc1ccccn1)N1C=CC2=CCSC2=C1.
What is the InChIKey of pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is AWYMDVAIBXYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-14(18-10-12-3-1-2-6-15-12)16-7-4-11-5-8-19-13(11)9-16/h1-7,9H,8,10H2.
What are the key properties of pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate?
pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 141131376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).