Home > Compound List > Compound details
239110-15-7 molecular structure
click picture or here to close

2,6-dichloro-N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}benzamide

ChemBase ID: 157030
Molecular Formular: C14H8Cl3F3N2O
Molecular Mass: 383.5803296
Monoisotopic Mass: 381.96543059
SMILES and InChIs

SMILES:
c1cc(c(c(c1)Cl)C(=O)NCc1c(cc(cn1)C(F)(F)F)Cl)Cl
Canonical SMILES:
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F
InChI:
InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)
InChIKey:
GBOYJIHYACSLGN-UHFFFAOYSA-N

Cite this record

CBID:157030 http://www.chembase.cn/molecule-157030.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}benzamide
IUPAC Traditional name
2,6-dichloro-N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}benzamide
Synonyms
2,6-Dichloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridylmethyl]benzamide
Fluopicolide
2,6-二氯-N-[3-氯-5-(三氟甲基)-2-吡啶基甲基]苯甲酰胺
氟啶酰菌胺
CAS Number
239110-15-7
MDL Number
MFCD09751509
PubChem SID
162251167
PubChem CID
11159021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
41132 external link Add to cart Please log in.
Data Source Data ID
PubChem 11159021 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.3149185  H Acceptors
H Donor LogD (pH = 5.5) 4.3257895 
LogD (pH = 7.4) 4.3258123  Log P 4.325817 
Molar Refractivity 82.3547 cm3 Polarizability 30.78892 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
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
H400 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C14H8Cl3F3N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 41132 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle