Basic information
- Standard SMILES
Cc1c(Br)c(=O)c(C(=O)O)cn1C(C)C- InChIKey
KYAYXXHPUMTZDW-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO3
- Average molar mass
- 274.11 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-1-isopropyl-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid
- IUPAC
- 5-bromo-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
Names & synonyms
5-bromo-1-isopropyl-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid1569649-68-8SCHEMBL15486258KYAYXXHPUMTZDW-UHFFFAOYSA-NAKOS0408057025-Bromo-1-isopropyl-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid5-bromo-6-methyl-4-oxo-1-(propan-2-yl)-1,4-dihydropyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 86711577
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 382
Related reactions
14 records
Compound notes
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