chempirical

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

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 5-(Trifluoromethyl)-1H-imidazole33468-69-832 % 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

Elsewhere

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