2,6-Dichloroisonicotinamide

C₆H₄Cl₂N₂OCAS 89281-13-0191.01 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₆H₄Cl₂N₂O
Molar mass: 191.01 g/mol
Exact mass: 189.9701 Da
logP: 1.49Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89281-13-0

SMILES

C1=C(C=C(N=C1Cl)Cl)C(=O)N

InChIKey

CFYBBFGXTQBLQV-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)

Weigh it out

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

Work with 2,6-Dichloroisonicotinamide

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-Chloroisonicotinamide100859-84-560 % similar 2,6-Dichloro-isonicotinoyl chloride42521-08-457 % similar 2,6-Dichloroisonicotinic acid5398-44-755 % similar Methyl 2,6-dichloroisonicotinate42521-09-550 % similar 3-Amino-6-chloropyridine-2-carboxamide175358-01-747 % similar tert-Butyl 2,6-dichloroisonicotinate75308-46-246 % similar 3,4-Dichlorobenzamide2670-38-445 % similar 3,5-Difluorobenzamide132980-99-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-9 (4,6-Dichloropyrimidin-5-yl)acetaldehyde16019-33-3

Elsewhere

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