chempirical

4-Hydroxy-6-(trifluoromethyl)pyrimidine

C5H3F3N2OCAS 1546-78-7164.09 g/mol

Open in Covalent MOL file
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

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)

Weigh it out

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

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-Trifluoromethyl-4-chloropyridine131748-14-636 % similar 4-Iodo-2-(trifluoromethyl)pyridine590371-73-636 % similar 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol119022-51-434 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-634 % similar 5-(Trifluoromethyl)-1H-imidazole33468-69-832 % similar 2-(Trifluoromethyl)pyridine368-48-932 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-132 % similar 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-231 % 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

Elsewhere

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