5-Bromo-1-(4-cyano-benzyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid

HCID 86711528
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Basic information

Standard SMILES
Cc1c(Br)c(=O)c(C(=O)O)cn1Cc1ccc(C#N)cc1
InChIKey
YFDZJHOCGBLXMQ-UHFFFAOYSA-N
Molecular formula
C15H11BrN2O3
Average molar mass
347.16 g/mol

Names & identifiers

Preferred name
5-Bromo-1-(4-cyano-benzyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid
IUPAC
5-bromo-1-[(4-cyanophenyl)methyl]-6-methyl-4-oxopyridine-3-carboxylic acid

Names & synonyms

SCHEMBL15486224YFDZJHOCGBLXMQ-UHFFFAOYSA-N1570080-14-6DB-1238365-Bromo-1-(4-cyano-benzyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid

Database identifiers

PubChem CID
86711528

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
81.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

6 records
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Compound notes

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