Home > Compound List > Compound details
859833-15-1 molecular structure
click picture or here to close

imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride

ChemBase ID: 101192
Molecular Formular: C8H6Cl2N2O
Molecular Mass: 217.05204
Monoisotopic Mass: 215.98571818
SMILES and InChIs

SMILES:
c1(cn2c(ncc2)cc1)C(=O)Cl.Cl
Canonical SMILES:
ClC(=O)c1ccc2n(c1)ccn2.Cl
InChI:
InChI=1S/C8H5ClN2O.ClH/c9-8(12)6-1-2-7-10-3-4-11(7)5-6;/h1-5H;1H
InChIKey:
LHLAJCRPSZDOFF-UHFFFAOYSA-N

Cite this record

CBID:101192 http://www.chembase.cn/molecule-101192.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride
IUPAC Traditional name
imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride
Synonyms
imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride
Imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride
CAS Number
859833-15-1
MDL Number
MFCD07772809
PubChem SID
162088518
PubChem CID
18525720

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525720 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.41446975  LogD (pH = 7.4) 0.9336877 
Log P 0.950462  Molar Refractivity 47.0511 cm3
Polarizability 17.08063 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
248-250°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501 expand Show data source
Purity
95% expand Show data source
Tech 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