Home > Compound List > Compound details
128073-05-2 molecular structure
click picture or here to close

5-(trifluoromethyl)pyridine-2-carbonyl chloride

ChemBase ID: 29935
Molecular Formular: C7H3ClF3NO
Molecular Mass: 209.5530296
Monoisotopic Mass: 208.98552606
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cn1)C(F)(F)F)Cl
Canonical SMILES:
ClC(=O)c1ccc(cn1)C(F)(F)F
InChI:
InChI=1S/C7H3ClF3NO/c8-6(13)5-2-1-4(3-12-5)7(9,10)11/h1-3H
InChIKey:
XGGHEBGOZWCTKF-UHFFFAOYSA-N

Cite this record

CBID:29935 http://www.chembase.cn/molecule-29935.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)pyridine-2-carbonyl chloride
IUPAC Traditional name
5-(trifluoromethyl)pyridine-2-carbonyl chloride
Synonyms
5-(Trifluoromethyl)pyridine-2-carbonyl chloride
CAS Number
128073-05-2
MDL Number
MFCD11226644
PubChem SID
160993242
PubChem CID
37859655

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
032537 external link Add to cart Please log in.
Data Source Data ID
PubChem 37859655 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2101793  LogD (pH = 7.4) 2.2101846 
Log P 2.2101848  Molar Refractivity 40.6175 cm3
Polarizability 14.703989 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
MOISTURE SENSITIVE, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% 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