Home > Compound List > Compound details
1060802-03-0 molecular structure
click picture or here to close

5-(trifluoromethyl)pyridine-3-sulfonyl chloride

ChemBase ID: 814976
Molecular Formular: C6H3ClF3NO2S
Molecular Mass: 245.6067296
Monoisotopic Mass: 244.95251168
SMILES and InChIs

SMILES:
n1cc(cc(c1)C(F)(F)F)S(=O)(=O)Cl
Canonical SMILES:
FC(c1cncc(c1)S(=O)(=O)Cl)(F)F
InChI:
InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey:
RUURWHCYTYUNCM-UHFFFAOYSA-N

Cite this record

CBID:814976 http://www.chembase.cn/molecule-814976.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)pyridine-3-sulfonyl chloride
IUPAC Traditional name
5-(trifluoromethyl)pyridine-3-sulfonyl chloride
Synonyms
5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CAS Number
1060802-03-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37218 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37218 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5797246  LogD (pH = 7.4) 1.5797249 
Log P 1.5797249  Molar Refractivity 44.069 cm3
Polarizability 17.107206 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

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