ethyl 7-hydroxy-4-methyl-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxylate
Basic information
- CAS
83179-00-4- Standard SMILES
CCOC(=O)c1c(O)c2sccc2n(C)c1=O- InChIKey
HIPFWNUYTALNMA-UHFFFAOYSA-N- Molecular formula
- C11H11NO4S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.04087901
Names & identifiers
- Preferred name
- ethyl 7-hydroxy-4-methyl-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxylate
- IUPAC
- ethyl 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxylate
Names & synonyms
83179-00-4ethyl 7-hydroxy-4-methyl-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxylateethyl 7-hydroxy-4-methyl-5-oxo-4H,5H-thieno(3,2-b)pyridine-6-carboxylateRefChem:596021836-037-1ethyl 7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxylateMFCD26399980ethyl 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxylatedine-6-carboxylateSCHEMBL2497674HIPFWNUYTALNMA-UHFFFAOYSA-NDB-297584
Show more names
G83168EN300-67623737-hydroxy-4-methyl-5-oxo-4H,5H-thieno[3,2-b]pyriThieno[3,2-b]pyridine-6-carboxylic acid, 4,5-dihydro-7-hydroxy-4-methyl-5-oxo-, ethyl ester
Database identifiers
- CAS
83179-00-4- PubChem CID
- 57744891
- EC Number
- 836-037-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 393
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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