2,6-Dichloroisonicotinic acid

C₆H₃Cl₂NO₂CAS 5398-44-7192.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₃Cl₂NO₂
Molar mass: 192.00 g/mol
Exact mass: 190.9541 Da
Melting point: 208–209 °C
logP: 2.09Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

5398-44-7

SMILES

O=C(O)c1cc(Cl)nc(Cl)c1

InChIKey

SQSYNRCXIZHKAI-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

4-Pyridinecarboxylic acid, 2,6-dichloro-
Isonicotinic acid, 2,6-dichloro-
2,6-Dichloro-4-pyridinecarboxylic acid
NSC 4466
CGA 41396

Work with 2,6-Dichloroisonicotinic 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

2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-573 % similar 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-867 % similar 2-Chloroisonicotinic acid6313-54-861 % similar Trimesic acid554-95-058 % similar 3,5-Dichlorobenzoic acid51-36-557 % similar 4,6-Dichloro-2-pyridinecarboxylic acid88912-25-856 % similar 2,6-Dichloro-isonicotinoyl chloride42521-08-455 % similar 2,6-Dichloroisonicotinamide89281-13-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Dichloroisonicotinic acid13958-93-5 Clopyralid1702-17-6 2,3-Dichloropyridine-4-carboxylic acid184416-84-0 2,4-Dichloronicotinic acid262423-77-8 2,3-Dichloronitrobenzene3209-22-1 2,6-Dichloronicotinic acid38496-18-3 5,6-Dichloronicotinic acid41667-95-2 2,5-Dichloropyridine-3-carboxylic acid59782-85-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook