5,6-Dichloronicotinic acid

C₆H₃Cl₂NO₂CAS 41667-95-2192.00 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: above 300 °C (decomposes)
logP: 2.09Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation98.4% of notifiers
H319 Causes serious eye irritation98.4% of notifiers
H335 May cause respiratory irritation96.9% of notifiers

Aggregated from 64 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

41667-95-2

SMILES

O=C(O)c1cnc(Cl)c(Cl)c1

InChIKey

RNRLTTNKVLFZJS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

3-Pyridinecarboxylic acid, 5,6-dichloro-
Nicotinic acid, 5,6-dichloro-
5,6-Dichloro-3-pyridinecarboxylic acid
5,6-Dichloropyridine-3-carboxylic acid
NSC 63885
2,3-Dichloropyridine-5-carboxylic acid

Work with 5,6-Dichloronicotinic 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

5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-166 % similar 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-666 % similar 5-Choro-6-methoxynicotinic acid884494-85-361 % similar 2-Chloro-3-nitro-5-pyridinecarboxylic acid7477-10-357 % similar 2-Chloropyrimidine-5-carboxylic acid374068-01-656 % similar 3,4,5-Trichlorobenzoic acid51-39-855 % similar 2,3,5-Trichloropyridine-4-carboxylic acid406676-18-454 % similar 3,5-Dichloro-4-hydroxybenzoic acid3336-41-253 % 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 2,6-Dichloroisonicotinic acid5398-44-7 2,5-Dichloropyridine-3-carboxylic acid59782-85-3

Elsewhere

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