Basic information
- CAS
6417-69-2- Standard SMILES
CCOC(=O)C1=CN(C)C=C(Br)C1C#N- InChIKey
PWARVYQJRUOAOY-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O2
- Average molar mass
- 271.11 g/mol
- Monoisotopic mass
- 270.00039
Names & identifiers
- Preferred name
- ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate
- IUPAC
- ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate
Names & synonyms
6417-69-2ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylateethyl 5-bromo-4-cyano-1-methyl-1,4-dihydropyridine-3-carboxylateNSC95189DTXSID70294217NSC-951895-bromo-4-cyano-1-methyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
Database identifiers
- CAS
6417-69-2- PubChem CID
- 262017
- DTXSID
DTXSID70294217
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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