methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate

C10H11NO2S — CID 67407323

IUPACmethyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1Cc2sccc2C=C1C
InChIInChI=1S/C10H11NO2S/c1-7-5-8-3-4-14-9(8)6-11(7)10(12)13-2/h3-5H,6H2,1-2H3
InChIKeyMZNIHKYCKGHKOI-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.69
Rot. Bonds

About methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate

methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 67407323) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID67407323
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Namemethyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1Cc2sccc2C=C1C
InChIInChI=1S/C10H11NO2S/c1-7-5-8-3-4-14-9(8)6-11(7)10(12)13-2/h3-5H,6H2,1-2H3
InChIKeyMZNIHKYCKGHKOI-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate (CID 67407323) is methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate is COC(=O)N1Cc2sccc2C=C1C.
What is the InChIKey of methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is MZNIHKYCKGHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-5-8-3-4-14-9(8)6-11(7)10(12)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate?
methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 67407323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).