Basic information
- Standard SMILES
Cc1[nH]c(C=NNC(=O)c2ccc(O)cc2)c(C)c1Br- InChIKey
UNXSFUVZTSHQDL-UHFFFAOYSA-N- Molecular formula
- C14H14BrN3O2
- Average molar mass
- 336.18 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-benzoic acid (4-bromo-3,5-dimethyl-1H-pyrrol-2-ylmethylene)-hydrazide
- IUPAC
- N-[(4-bromo-3,5-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4-hydroxybenzamide
Names & synonyms
SCHEMBL2543020UNXSFUVZTSHQDL-UHFFFAOYSA-N4-Hydroxy-benzoic acid (4-bromo-3,5-dimethyl-1H-pyrrol-2-ylmethylene)-hydrazide
Database identifiers
- PubChem CID
- 136330131
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
3 records
Compound notes
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