2-Trifluoromethyl-pyrimidin-4-ol

C₅H₃F₃N₂OCAS 1546-80-1164.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₃F₃N₂O
Molar mass: 164.09 g/mol
Exact mass: 164.0197 Da
logP: 0.79Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1546-80-1

SMILES

C1=CN=C(NC1=O)C(F)(F)F

InChIKey

PDCVDVCPQWFGAX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-2-1-3(11)10-4/h1-2H,(H,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Hydroxy-2-(trifluoromethyl)pyrimidine

Work with 2-Trifluoromethyl-pyrimidin-4-ol

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)-1H-benzimidazole312-73-235 % similar 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-333 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-632 % similar 2-Trifluoromethyl-4-chloropyridine131748-14-632 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-932 % similar 4-(Trifluoromethyl)-2(1H)-pyridinone50650-59-432 % similar 4-Iodo-2-(trifluoromethyl)pyridine590371-73-632 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-632 % similar

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

Same formula

2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-2 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-7 1-(Trifluoroacetyl)imidazole1546-79-8

Elsewhere

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