6-Chloro-3-pyridazinecarboxylic acid

C₅H₃ClN₂O₂CAS 5096-73-1158.54 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₃ClN₂O₂
Molar mass: 158.54 g/mol
Exact mass: 157.9883 Da
Melting point: 146 °C
logP: 0.83Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

5096-73-1

SMILES

O=C(O)c1ccc(Cl)nn1

InChIKey

HHGZQZULOHYEOH-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H,9,10)

Weigh it out

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

Names and synonyms

3 names

3-Pyridazinecarboxylic acid, 6-chloro-
3-Chloropyridazine-6-carboxylic acid
6-Chloropyridazine-3-formic acid

Work with 6-Chloro-3-pyridazinecarboxylic 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

6-Chloropicolinic acid4684-94-056 % similar 4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-453 % similar Clopyralid1702-17-653 % similar Dipicolinic acid499-83-250 % similar 6-Chloronicotinic acid5326-23-850 % similar 2,6-Dichloronicotinic acid38496-18-349 % similar 3,6-Dichloropyridazine141-30-048 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-147 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloro-5-nitropyridine4548-45-2 2-Chloro-3-nitropyridine5470-18-8

Elsewhere

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