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

C9H7NO3S — CID 15166985

IUPACmethyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(=O)c2ccsc2[nH]1
InChIInChI=1S/C9H7NO3S/c1-13-9(12)6-4-7(11)5-2-3-14-8(5)10-6/h2-4H,1H3,(H,10,11)
InChIKeyVRJSDVWMQMEGQU-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.38
Rot. Bonds1

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

methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate (PubChem CID 15166985) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
PubChem CID15166985
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Namemethyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(=O)c2ccsc2[nH]1
InChIInChI=1S/C9H7NO3S/c1-13-9(12)6-4-7(11)5-2-3-14-8(5)10-6/h2-4H,1H3,(H,10,11)
InChIKeyVRJSDVWMQMEGQU-UHFFFAOYSA-N
XLogP1.38
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
CID 58024740
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
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methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497
methyl 4-(tert-butylcarbamoyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 13067953
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
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methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 46738864
methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 141074208
methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
CID 63376573
methyl 6-hexyl-4-oxo-1H-quinoline-2-carboxylate
CID 178121539
methyl 6-[(3-methoxy-3-oxopropyl)carbamoyl]-4-oxo-1H-quinoline-2-carboxylate
CID 16681258
methyl 4-oxo-8-phenylsulfanyl-1H-quinoline-2-carboxylate
CID 90673434
methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
CID 163489322

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate?
The IUPAC name of methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate (CID 15166985) is methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate is COC(=O)c1cc(=O)c2ccsc2[nH]1.
What is the InChIKey of methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate?
The InChIKey is VRJSDVWMQMEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-13-9(12)6-4-7(11)5-2-3-14-8(5)10-6/h2-4H,1H3,(H,10,11).
What are the key properties of methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate?
methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 15166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).