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2-Hydroxy-5-trifluoromethylpyridine

CAT: 0013-GTR19251352-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251352-01Size:1 g
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Description
2-Hydroxy-5-trifluoromethylpyridine
CAS Number
33252-63-0
Purity
99.89% (May vary between batches)
Smiles
FC (F) (F) C1=CNC (=O) C=C1
Molecular Formula
C6H4F3NO
Molecular Weight
163.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Hydroxy-5-(trifluoromethyl)pyridine

structure in first source

CAS Number33252-63-0
PubChem CID147443
IUPAC Name5-(trifluoromethyl)-1H-pyridin-2-one
Molecular FormulaC6H4F3NO
Molecular Weight163.10
XLogP0.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity239
SMILES
C1=CC(=O)NC=C1C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey
BYRJSCNPUHYZQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-5-(trifluoromethyl)pyridine
CAS: 33252-63-0
CID: 147443
Formula: C6H4F3NO
MW: 163.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.10
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass163.02449824
Monoisotopic Mass163.02449824
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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