2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine

C₆H₃F₃N₂O₃CAS 99368-66-8208.10 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₆H₃F₃N₂O₃
Molar mass: 208.10 g/mol
Exact mass: 208.0096 Da
logP: 1.30Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

99368-66-8

SMILES

C1=C(C(=O)NC=C1[N+](=O)[O-])C(F)(F)F

InChIKey

BHUILUYFGJBXHQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine

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-5-nitrobenzotrifluoride400-74-851 % similar 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine121-01-750 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-950 % similar 2-Hydroxy-5-nitronicotinic acid6854-07-550 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-750 % similar 2-Methyl-5-nitrobenzotrifluoride89976-12-550 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-049 % similar 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine956104-42-048 % similar

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

Same formula

3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone33252-64-1

Elsewhere

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