chempirical

3,6-Dichloropyridazine-4-carboxylic acid

C5H2Cl2N2O2CAS 51149-08-7192.98 g/mol

Open in Covalent MOL file
NNClClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H2Cl2N2O2
Molar mass
192.98 g/mol
Exact mass
191.9493 Da
logP
1.48Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51149-08-7
SMILES
C1=C(C(=NN=C1Cl)Cl)C(=O)O
InChIKey
FRCXPDWDMAYSCE-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)

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Work with 3,6-Dichloropyridazine-4-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

2,6-Dichloronicotinic acid38496-18-354 % similar Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-554 % similar 2,5-Dichloropyridine-3-carboxylic acid59782-85-353 % similar 2,5-Dichloroisonicotinic acid88912-26-953 % similar 2,6-Dichloro-5-fluoronicotinic acid82671-06-551 % similar 2,6-Dichloro-5-fluoronicotinic acid8271-06-551 % similar 5-Bromo-2-chloronicotinic acid29241-65-450 % similar 2-Chloro-5-fluoronicotinic acid38186-88-850 % similar

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

Same formula

4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-4 2,6-Dichloro-3-nitropyridine16013-85-7 2,5-Dichloro-3-nitropyridine21427-62-3 2,3-Dichloro-5-nitropyridine22353-40-8 2,4-Dichloro-5-nitropyridine4487-56-3 2,4-Dichloro-3-nitropyridine5975-12-2 3,5-Dichloro-2-nitropyridine610278-88-1 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-4

Elsewhere

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