Ethyl 3-(bromomethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxylate

HCID 22574331
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Basic information

Standard SMILES
CCOC(=O)c1cn(C)c2c(CBr)csc2c1=O
InChIKey
MCRLBZQGJUJYGG-UHFFFAOYSA-N
Molecular formula
C12H12BrNO3S
Average molar mass
330.2 g/mol

Names & identifiers

Preferred name
Ethyl 3-(bromomethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxylate
IUPAC
ethyl 3-(bromomethyl)-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxylate

Names & synonyms

SCHEMBL6318668MCRLBZQGJUJYGG-UHFFFAOYSA-Nethyl 3-(bromomethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxylate

Database identifiers

PubChem CID
22574331

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
74.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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