6-Chloropyridazine-3-carboxylic 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

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

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

4 names

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

Work with 6-Chloropyridazine-3-carboxylic 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

3,6-Pyridazinedicarboxylic acid57266-70-372 % similar 6-Chloropicolinic acid4684-94-056 % similar 4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-453 % similar Clopyralid1702-17-653 % similar 2-Pyridinecarboxylic acid, 5,6-dichloro-88912-24-753 % similar 6-Methoxypyridazine-3-carboxylic acid56434-28-751 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-851 % similar Dipicolinic acid499-83-250 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2

Elsewhere

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