3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone

C₆H₃F₃N₂O₃CAS 33252-64-1208.10 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Phenol

Properties

Molecular formula: C₆H₃F₃N₂O₃
Molar mass: 208.10 g/mol
Exact mass: 208.0096 Da
logP: 1.71Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33252-64-1

SMILES

O=[N+]([O-])c1cc(C(F)(F)F)cnc1O

InChIKey

JYXKHKBZLLIWEV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3N2O3/c7-6(8,9)3-1-4(11(13)14)5(12)10-2-3/h1-2H,(H,10,12)

Weigh it out

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

Names and synonyms

8 names

2(1H)-Pyridinone, 3-nitro-5-(trifluoromethyl)-
2(1H)-Pyridone, 3-nitro-5-(trifluoromethyl)-
3-Nitro-5-(trifluoromethyl)-2-pyridone
2-Hydroxy-3-nitro-5-(trifluoromethyl)pyridine
3-Nitro-5-(trifluoromethyl)-2-pyridinol
3-Nitro-5-(trifluoromethyl)-1H-pyridin-2-one
3-Nitro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
3-Nitro-5-(trifluoromethyl)pyridin-2-ol

Work with 3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone

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-Chloro-3-nitro-5-(trifluoromethyl)pyridine72587-15-665 % similar 5-Fluoro-3-nitro-2(1H)-pyridinone136888-20-563 % similar 3,5-Dinitro-2(1H)-pyridinone2980-33-861 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-161 % similar 5-Bromo-3-nitro-2-pyridone15862-34-757 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-756 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-953 % similar 4-Amino-3,5-dinitrobenzotrifluoride445-66-953 % similar

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

Same formula

2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine99368-66-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook