4-(4-Bromo-2,5-dichlorophenoxy)nicotinic acid

HCID 67320480

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cnccc1Oc1cc(Cl)c(Br)cc1Cl
InChIKey: HNMAGLVENRNWJM-UHFFFAOYSA-N
Molecular formula: C12H6BrCl2NO3
Average molar mass: 362.99 g/mol

Names & identifiers

Preferred name: 4-(4-Bromo-2,5-dichlorophenoxy)nicotinic acid
IUPAC: 4-(4-bromo-2,5-dichlorophenoxy)pyridine-3-carboxylic acid

Names & synonyms

1315469-60-34-(4-BROMO-2,5-DICHLOROPHENOXY)NICOTINIC ACIDSCHEMBL2217137HNMAGLVENRNWJM-UHFFFAOYSA-NF963444-(4-bromo-2,5-dichloro-phenoxy)-nicotinic acid

Database identifiers

PubChem CID: 67320480

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 334

Related reactions

6 records

New reaction record

HRID 136423As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 197536As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1025851As reactantuspto-grants-2014_05

HRID 1025852As productuspto-grants-2014_05

HRID 1967005As reactantuspto-grants-2013_04

HRID 1967006As productuspto-grants-2013_04

Compound notes

Loading…