2,5-Dichloroisonicotinic acid

C₆H₃Cl₂NO₂CAS 88912-26-9192.00 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
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 irritation97.6% of notifiers

Aggregated from 42 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

88912-26-9

SMILES

O=C(O)c1cc(Cl)ncc1Cl

InChIKey

GFOVTTQVBDEYPP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

4-Pyridinecarboxylic acid, 2,5-dichloro-
2,5-Dichloro-4-pyridinecarboxylic acid
3,6-Dichloropyridine-4-carboxylic acid
2,5-Dichloropyridine-4-carboxylic Acid

Work with 2,5-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

4,6-Dichloronicotinic acid73027-79-975 % similar 5-Amino-2-chloroisonicotinic acid58483-95-766 % similar 5-Bromo-2-chloroisonicotinic acid886365-31-766 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 2-Chloro-5-nitroisonicotinic acid907545-47-557 % similar 6-Chloro-4-methoxy-3-pyridinecarboxylic acid716362-10-656 % similar 4,5-Dichlorophthalic acid56962-08-455 % similar 3,6-Dichloropyridazine-4-carboxylic acid51149-08-753 % 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 2,6-Dichloroisonicotinic acid5398-44-7

Elsewhere

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