3,8-Dibromo-6-hydroxyquinoline

HCID 21923136

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1cc(Br)c2ncc(Br)cc2c1
InChIKey: XKBDLJIGWBLDDR-UHFFFAOYSA-N
Molecular formula: C9H5Br2NO
Average molar mass: 302.95 g/mol
Monoisotopic mass: 300.87379

Names & identifiers

Preferred name: 3,8-Dibromo-6-hydroxyquinoline
IUPAC: 3,8-dibromoquinolin-6-ol

Names & synonyms

3,8-dibromo-6-hydroxyquinolineSCHEMBL5332753,8-dibromo-6-hydroxy-quinolineXKBDLJIGWBLDDR-UHFFFAOYSA-N

Database identifiers

PubChem CID: 21923136

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Related reactions

8 records

New reaction record

HRID 563890As productuspto-grants-2011_11

HRID 955310As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1244812As productuspto-grants-2006_10

HRID 1244814As reactantuspto-grants-2006_10

HRID 1574333As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2222295As productuspto-grants-2008_05

HRID 2222297As reactantuspto-grants-2008_05

HRID 2421521As productuspto-grants-2011_06

Compound notes

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