ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate

C14H11NO3S — CID 10564172

IUPACethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2sc3ccccc3c2[nH]1
InChIInChI=1S/C14H11NO3S/c1-2-18-14(17)9-7-10(16)13-12(15-9)8-5-3-4-6-11(8)19-13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyJKXIOKHBNXFUQL-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.92
Rot. Bonds2

About ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate

ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate (PubChem CID 10564172) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
PubChem CID10564172
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Nameethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2sc3ccccc3c2[nH]1
InChIInChI=1S/C14H11NO3S/c1-2-18-14(17)9-7-10(16)13-12(15-9)8-5-3-4-6-11(8)19-13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyJKXIOKHBNXFUQL-UHFFFAOYSA-N
XLogP2.92
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]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

Related Compounds

ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
CID 10777524
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
ethyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 56691109
ethyl 4-(3-methoxyphenyl)-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-3-carboxylate
CID 118156082
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate
CID 6324484
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 3-amino-9-oxothioxanthene-2-carboxylate
CID 175165934
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate (CID 10564172) is ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1cc(=O)c2sc3ccccc3c2[nH]1.
What is the InChIKey of ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is JKXIOKHBNXFUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-2-18-14(17)9-7-10(16)13-12(15-9)8-5-3-4-6-11(8)19-13/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 10564172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).