methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate

C9H6FNO3S — CID 134828081

IUPACmethyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(F)c[nH]c(=O)c2s1
InChIInChI=1S/C9H6FNO3S/c1-14-9(13)6-2-4-5(10)3-11-8(12)7(4)15-6/h2-3H,1H3,(H,11,12)
InChIKeyPZHLEQVEJVJLPU-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.52
Rot. Bonds1

About methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate

methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 134828081) has the molecular formula C9H6FNO3S and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate
PubChem CID134828081
Molecular FormulaC9H6FNO3S
Molecular Weight227.22 g/mol
Exact Mass227.01
IUPAC Namemethyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(F)c[nH]c(=O)c2s1
InChIInChI=1S/C9H6FNO3S/c1-14-9(13)6-2-4-5(10)3-11-8(12)7(4)15-6/h2-3H,1H3,(H,11,12)
InChIKeyPZHLEQVEJVJLPU-UHFFFAOYSA-N
XLogP1.52
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-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 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate (CID 134828081) is methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(F)c[nH]c(=O)c2s1.
What is the InChIKey of methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is PZHLEQVEJVJLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3S/c1-14-9(13)6-2-4-5(10)3-11-8(12)7(4)15-6/h2-3H,1H3,(H,11,12).
What are the key properties of methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate?
methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 227.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 134828081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).