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2-Hydroxy-6-trifluoromethylpyridine

CAT: 0572-TRC-H977575-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H977575-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34486-06-1
Synonyms
Picoxystrobin metabolite M3; 2(1H)-Pyridone, 6-(trifluoromethyl)- (8CI); 6-(Trifluoromethyl)-2(1H)-pyridinone; 6-(Trifluoromethyl)-2-pyridinol; 6-(Trifluoromethyl)-2-pyridinone; 6-(Trifluoromethyl)-2-pyridone; 2(1H)-Pyridinone, 6-(trifluoromethyl)-
Hazard Statement
Harmful if swallowed
Smiles
Oc1cccc(n1)C(F)(F)F
Molecular Formula
C6 H4 F3 N O
Molecular Weight
163.0973
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
Additionnal Information
IUPAC name: 6-(trifluoromethyl)pyridin-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2(1H)-Pyridinone, 6-(trifluoromethyl)-
CAS Number34486-06-1
PubChem CID10154195
IUPAC Name6-(trifluoromethyl)-1H-pyridin-2-one
Molecular FormulaC6H4F3NO
Molecular Weight163.10
XLogP1.1
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(=C1)C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKey
XXRUAAOADAPPII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(1H)-Pyridinone, 6-(trifluoromethyl)-
CAS: 34486-06-1
CID: 10154195
Formula: C6H4F3NO
MW: 163.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.10
XLogP31.1
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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418305-012-Hydroxy-6-trifluoromethylpyridine
GTR19251352-012-Hydroxy-5-trifluoromethylpyridine
278825-012-Hydroxy-3-trifluoromethylpyridine
276719-012-Fluoro-6-trifluoromethylpyridine
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