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

C9H9NO2S — CID 67410710

IUPACmethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1C=Cc2ccsc2C1
InChIInChI=1S/C9H9NO2S/c1-12-9(11)10-4-2-7-3-5-13-8(7)6-10/h2-5H,6H2,1H3
InChIKeyPJQCPLJJYIYHMT-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.30
Rot. Bonds

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

methyl 7H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 67410710) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 7H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID67410710
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Namemethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1C=Cc2ccsc2C1
InChIInChI=1S/C9H9NO2S/c1-12-9(11)10-4-2-7-3-5-13-8(7)6-10/h2-5H,6H2,1H3
InChIKeyPJQCPLJJYIYHMT-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 7H-thieno[2,3-c]pyridine-6-carboxylate (CID 67410710) is methyl 7H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 7H-thieno[2,3-c]pyridine-6-carboxylate is COC(=O)N1C=Cc2ccsc2C1.
What is the InChIKey of methyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is PJQCPLJJYIYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-9(11)10-4-2-7-3-5-13-8(7)6-10/h2-5H,6H2,1H3.
What are the key properties of methyl 7H-thieno[2,3-c]pyridine-6-carboxylate?
methyl 7H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 195.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 67410710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).