chempirical

2-(Trifluoromethyl)pyrimidine-5-carboxylic acid

C6H3F3N2O2CAS 306960-77-0192.10 g/mol

Open in Covalent MOL file
NNFFFOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C6H3F3N2O2
Molar mass
192.10 g/mol
Exact mass
192.0147 Da
logP
1.19Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
306960-77-0
SMILES
C1=C(C=NC(=N1)C(F)(F)F)C(=O)O
InChIKey
RGLZXVNOHDUMRJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13)

Weigh it out

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

Work with 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid

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

6-Trifluoromethylnicotinic acid231291-22-862 % similar 2-Chloropyrimidine-5-carboxylic acid374068-01-655 % similar 2-Methylpyrimidine-5-carboxylic acid5194-32-153 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-553 % similar 4-(Trifluoromethyl)benzoic acid455-24-352 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-352 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-651 % similar 6-Fluoronicotinic acid403-45-250 % similar

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

Same formula

2,3,4-Trifluoro-6-nitroaniline148416-38-0

Elsewhere

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