4-Hydroxy-6-(trifluoromethyl)pyrimidine

C5H3F3N2OCAS 1546-78-7164.09 g/mol

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NHNOFFF
Alkyl halide

Properties

Molecular formula
C5H3F3N2O
Molar mass
164.09 g/mol
Exact mass
164.0197 Da
logP
0.79Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
1546-78-7
SMILES
C1=C(N=CNC1=O)C(F)(F)F
InChIKey
LVOYSBZJJWPUBD-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11)

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Work with 4-Hydroxy-6-(trifluoromethyl)pyrimidine

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-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-547 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-447 % similar 6-Chloropyrimidin-4-ol4765-77-947 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-445 % similar 4-Hydroxy-6-hydrazinylpyrimidine29939-37-544 % similar 2-Hydroxy-5-trifluoromethylpyridine33252-63-037 % similar 4-Chloro-6-trifluoromethylpyrimidine37552-81-137 % similar 6-(Trifluoromethyl)pyrimidin-4-amine672-41-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-2 1-(Trifluoroacetyl)imidazole1546-79-8 2-Trifluoromethyl-pyrimidin-4-ol1546-80-1 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-4

Elsewhere

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