ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate

C8H7N3O3S — CID 58332139

IUPACethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c[nH]c2nnsc2c1=O
InChIInChI=1S/C8H7N3O3S/c1-2-14-8(13)4-3-9-7-6(5(4)12)15-11-10-7/h3H,2H2,1H3,(H,9,12)
InChIKeyCTTAWEFEGGTJKH-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.56
Rot. Bonds2

About ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate

ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 58332139) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID58332139
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Nameethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c[nH]c2nnsc2c1=O
InChIInChI=1S/C8H7N3O3S/c1-2-14-8(13)4-3-9-7-6(5(4)12)15-11-10-7/h3H,2H2,1H3,(H,9,12)
InChIKeyCTTAWEFEGGTJKH-UHFFFAOYSA-N
XLogP0.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 134914387
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
CID 19374300
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746
ethyl 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxylate
CID 133106172
ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
CID 123135674
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate (CID 58332139) is ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1c[nH]c2nnsc2c1=O.
What is the InChIKey of ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is CTTAWEFEGGTJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-2-14-8(13)4-3-9-7-6(5(4)12)15-11-10-7/h3H,2H2,1H3,(H,9,12).
What are the key properties of ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate?
ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 225.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 58332139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).