chempirical

3,5-Dichloroisonicotinic acid

C6H3Cl2NO2CAS 13958-93-5192.00 g/mol

Open in Covalent MOL file
NClOOHCl
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
13958-93-5
SMILES
C1=C(C(=C(C=N1)Cl)C(=O)O)Cl
InChIKey
BUQPTOSHKHYHHB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

Weigh it out

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

Work with 3,5-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

2,6-Dichlorobenzoic acid50-30-663 % similar 2,4,6-Trichlorobenzoic acid50-43-159 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-355 % similar 2-Bromo-3,5-dichloro-4-pyridinecarboxylic acid343781-56-654 % similar 2,3,6-Trichlorobenzoic acid50-31-752 % similar 4-Chloronicotinic acid10177-29-452 % similar 3,6-Dichlorosalicylic acid3401-80-750 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-048 % similar

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

Same formula

Clopyralid1702-17-6 2,3-Dichloronitrobenzene3209-22-1 2,6-Dichloronicotinic acid38496-18-3 5,6-Dichloronicotinic acid41667-95-2 2,6-Dichloroisonicotinic acid5398-44-7 1,3-Dichloro-2-nitrobenzene601-88-7 2,4-Dichloronitrobenzene611-06-3 3,5-Dichloronitrobenzene618-62-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook