chempirical

4,6-Dichloronicotinic acid

C6H3Cl2NO2CAS 73027-79-9192.00 g/mol

Open in Covalent MOL file
OHONClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3Cl2NO2
Molar mass
192.00 g/mol
Exact mass
190.9541 Da
Melting point
152–153 °C
logP
2.09Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
73027-79-9
SMILES
O=C(O)c1cnc(Cl)cc1Cl
InChIKey
ILMIEWNDXAKVNI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(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

3 names
  • 3-Pyridinecarboxylic acid, 4,6-dichloro-
  • 4,6-Dichloro-3-pyridinecarboxylic acid
  • 4,6-Dichloropyridine-3-carboxylic acid

Work with 4,6-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

2,5-Dichloroisonicotinic acid88912-26-975 % similar 5-Amino-2-chloroisonicotinic acid58483-95-761 % similar 6-Chloro-4-methoxy-3-pyridinecarboxylic acid716362-10-661 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 4,5-Dichlorophthalic acid56962-08-455 % similar 4-Chloronicotinic acid10177-29-453 % similar 4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-453 % similar 5-Chloro-2-pyrazinecarboxylic acid36070-80-151 % 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-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

Elsewhere

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