methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate

C12H11NO3S — CID 139645960

IUPACmethyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)ccnc1OC
InChIInChI=1S/C12H11NO3S/c1-15-11-10(12(14)16-2)8(5-6-13-11)9-4-3-7-17-9/h3-7H,1-2H3
InChIKeyIODJUTMSNQGCOQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate

methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate (PubChem CID 139645960) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate
PubChem CID139645960
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Namemethyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)ccnc1OC
InChIInChI=1S/C12H11NO3S/c1-15-11-10(12(14)16-2)8(5-6-13-11)9-4-3-7-17-9/h3-7H,1-2H3
InChIKeyIODJUTMSNQGCOQ-UHFFFAOYSA-N
XLogP2.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate (CID 139645960) is methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate is COC(=O)c1c(-c2cccs2)ccnc1OC.
What is the InChIKey of methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate?
The InChIKey is IODJUTMSNQGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-15-11-10(12(14)16-2)8(5-6-13-11)9-4-3-7-17-9/h3-7H,1-2H3.
What are the key properties of methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate?
methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 139645960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).