chempirical

4,6-Dichloropyrimidine-5-carboxylic acid

C5H2Cl2N2O2CAS 87600-98-4192.98 g/mol

Open in Covalent MOL file
NNClOOHCl
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
87600-98-4
SMILES
C1=NC(=C(C(=N1)Cl)C(=O)O)Cl
InChIKey
KGBLYFGHJNGQBK-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)

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Work with 4,6-Dichloropyrimidine-5-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

2,4-Dichloronicotinic acid262423-77-859 % similar 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-853 % similar 2,3,5-Trichloropyridine-4-carboxylic acid406676-18-453 % similar 3-Chloro-2-pyrazine-carboxylic acid27398-39-652 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-751 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid186519-92-651 % similar 6-Chloro-4-pyrimidinecarboxylic acid37131-91-248 % similar 3,5-Dichloroisonicotinic acid13958-93-548 % 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 3,6-Dichloropyridazine-4-carboxylic acid51149-08-7 2,4-Dichloro-3-nitropyridine5975-12-2 3,5-Dichloro-2-nitropyridine610278-88-1

Elsewhere

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