2-Hydroxy-4-(trifluoromethyl)pyrimidine

C5H3F3N2OCAS 104048-92-2164.09 g/mol

Open in Covalent MOL file
NHONFFF
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

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
104048-92-2
SMILES
C1=C(NC(=O)N=C1)C(F)(F)F
InChIKey
WCEBFEVZTGLOHC-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)

Weigh it out

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

Work with 2-Hydroxy-4-(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

4-(Trifluoromethyl)-2-pyrimidinethiol136547-17-656 % similar 4-Methylpyrimidin-2-ol hydrochloride15231-48-847 % similar 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-145 % similar 3-(Trifluoromethyl)pyrazole20154-03-445 % similar N4-Acetylcytosine14631-20-038 % similar 2-Hydroxy-6-(trifluoromethyl)nicotinicacid191595-63-837 % similar 2-(Trifluoromethyl)-4-hydroxypyridine170886-13-236 % similar 6-(Trifluoromethyl)uracil672-45-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-7 1-(Trifluoroacetyl)imidazole1546-79-8 2-Trifluoromethyl-pyrimidin-4-ol1546-80-1 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook