2,6-Dichloronicotinic acid

C₆H₃Cl₂NO₂CAS 38496-18-3192.00 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: 143–147 °C
logP: 2.09Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed84% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38496-18-3

SMILES

O=C(O)c1ccc(Cl)nc1Cl

InChIKey

AJPKQSSFYHPYMH-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)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

2 names

3-Pyridinecarboxylic acid, 2,6-dichloro-
2,6-Dichloro-3-pyridinecarboxylic acid

Work with 2,6-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

2-Chloro-6-methylnicotinic acid30529-70-565 % similar 2-Chloro-6-trifluoromethylnicotinic acid280566-45-259 % similar 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-159 % similar 2-Chloronicotinic acid2942-59-854 % similar 3,6-Dichloropyridazine-4-carboxylic acid51149-08-754 % similar 6-Chloropicolinic acid4684-94-053 % similar 2,6-Dichloro-5-fluoronicotinic acid82671-06-551 % similar 2,6-Dichloro-5-fluoronicotinic acid8271-06-551 % 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 5,6-Dichloronicotinic acid41667-95-2 2,6-Dichloroisonicotinic acid5398-44-7 2,5-Dichloropyridine-3-carboxylic acid59782-85-3

Elsewhere

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