methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate

C10H9NO3S — CID 131358846

IUPACmethyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate
SMILESCOC(=O)c1scc2c(=O)cc(C)[nH]c12
InChIInChI=1S/C10H9NO3S/c1-5-3-7(12)6-4-15-9(8(6)11-5)10(13)14-2/h3-4,11H,1-2H3
InChIKeyFSBMVPKWFIVFNE-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.68
Rot. Bonds1

About methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate

methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate (PubChem CID 131358846) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate
PubChem CID131358846
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate
SMILESCOC(=O)c1scc2c(=O)cc(C)[nH]c12
InChIInChI=1S/C10H9NO3S/c1-5-3-7(12)6-4-15-9(8(6)11-5)10(13)14-2/h3-4,11H,1-2H3
InChIKeyFSBMVPKWFIVFNE-UHFFFAOYSA-N
XLogP1.68
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate (CID 131358846) is methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate is COC(=O)c1scc2c(=O)cc(C)[nH]c12.
What is the InChIKey of methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate?
The InChIKey is FSBMVPKWFIVFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-5-3-7(12)6-4-15-9(8(6)11-5)10(13)14-2/h3-4,11H,1-2H3.
What are the key properties of methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate?
methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-1H-thieno[3,4-b]pyridine-7-carboxylate is sourced from PubChem (CID 131358846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).