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137641-05-5 molecular structure
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N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

ChemBase ID: 157749
Molecular Formular: C19H12F4N2O2
Molecular Mass: 376.3043928
Monoisotopic Mass: 376.08349051
SMILES and InChIs

SMILES:
c1cc(cc(c1)Oc1cccc(n1)C(=O)Nc1ccc(cc1)F)C(F)(F)F
Canonical SMILES:
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)
InChIKey:
CWKFPEBMTGKLKX-UHFFFAOYSA-N

Cite this record

CBID:157749 http://www.chembase.cn/molecule-157749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
IUPAC Traditional name
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
Synonyms
N-(4-Fluorophenyl)-6-(α,α,α-trifluoro-m-tolyloxy)picolinamide
N-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxamide
Picolinafen
N-(4-氟苯基)-6-(α,α,α-三氟间甲基苯氧基)吡啶酰苯胺
N-(4-氟苯基)-6-[3-(三氟甲基)苯氧基]-2-吡啶甲酰胺
氟吡酰草胺
CAS Number
137641-05-5
MDL Number
MFCD04040061
PubChem SID
24863615
162251886
PubChem CID
3294375

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
37912 external link Add to cart Please log in.
Data Source Data ID
PubChem 3294375 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.526171  H Acceptors
H Donor LogD (pH = 5.5) 5.3486 
LogD (pH = 7.4) 5.348295  Log P 5.3486037 
Molar Refractivity 91.807 cm3 Polarizability 33.194042 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H410 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C19H12F4N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 37912 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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