3-Bromo-6-chloropyridine-2-carboxylic acid

C6H3BrClNO2CAS 929000-66-8236.45 g/mol

Open in Covalent MOL file
NBrOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3BrClNO2
Molar mass
236.45 g/mol
Exact mass
234.9036 Da
logP
2.20Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
929000-66-8
SMILES
C1=CC(=NC(=C1Br)C(=O)O)Cl
InChIKey
RDZPMWLHALUNCD-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClNO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)

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Names and synonyms

1 names
  • 3-Bromo-6-chloro-2-pyridinecarboxylic acid

Work with 3-Bromo-6-chloropyridine-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Clopyralid1702-17-665 % similar 3-Amino-6-chloropyridine-2-carboxylic acid866807-27-461 % similar 6-Chloro-3-fluoropyridine-2-carboxylic acid884494-76-261 % similar 3-Bromopyridine-2-carboxylic acid30683-23-953 % similar 2,6-Dichloronicotinic acid38496-18-351 % similar 6-Chloropicolinic acid4684-94-050 % similar 5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-948 % similar 3-Amino-6-chloropyrazine-2-carboxylic acid2727-13-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 2-Bromo-1-chloro-4-nitrobenzene16588-26-4 2-Bromo-1-chloro-3-nitrobenzene19128-48-4 1-Bromo-3-chloro-5-nitrobenzene219817-43-3 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-1 5-Bromo-2-chloronicotinic acid29241-65-4 1-Bromo-2-chloro-4-nitrobenzene29682-39-1 1-Bromo-2-chloro-3-nitrobenzene3970-37-4

Elsewhere

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