CAS 33252-64-1|3-nitro-5-(trifluoromethyl)pyridin-2-ol|3-nitro-5-(trifluoromethyl)pyridin-2-ol|2-Hydroxy-3-nitro-5-(trifluoromethyl)pyridine|6-Hydroxy-5-nitro-alpha,alpha,alpha-trifluoro-3-picoline|...

General Information

Structure

Molecular Formula

C₆H₃F₃N₂O₃

Molecular Mass

208.0948296

Exact Mass

208.00957663

Charge

InChI

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

InChIKey

JYXKHKBZLLIWEV-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

c1(cnc(c(c1)[N+](=O)[O-])O)C(F)(F)F

Calculated Properties

JChem

Acid pKa

8.182282

H Acceptors

H Donor

LogD (pH = 5.5)

1.8634131

LogD (pH = 7.4)

1.7992476

Log P

1.8642982

Molar Refractivity

39.4939

Polarizability

13.663121

Polar Surface Area

78.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Hydroxy-3-nitro-5-(trifluoromethyl)pyridine6-Hydroxy-5-nitro-alpha,alpha,alpha-trifluoro-3-picoline3-Nitro-5-(trifluoromethyl)pyridin-2-ol3-Nitro-5-(trifluoromethyl)pyridin-2(1H)-one2-Hydroxy-3-nitro-5-(trifluoromethyl)pyridine 98%3-nitro-5-(trifluoromethyl)pyridin-2-ol

IUPAC name

3-nitro-5-(trifluoromethyl)pyridin-2-ol

IUPAC Traditional name

3-nitro-5-(trifluoromethyl)pyridin-2-ol

Names and Identifiers

Registration numbers

CAS Number

33252-64-1

MDL Number

MFCD00153193

PubChem CID

2775093