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614750-84-4 molecular structure
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6-iodo-[1,2,4]triazolo[1,5-a]pyridine

ChemBase ID: 286976
Molecular Formular: C6H4IN3
Molecular Mass: 245.02053
Monoisotopic Mass: 244.94499514
SMILES and InChIs

SMILES:
Ic1cn2c(cc1)ncn2
Canonical SMILES:
Ic1ccc2n(c1)ncn2
InChI:
InChI=1S/C6H4IN3/c7-5-1-2-6-8-4-9-10(6)3-5/h1-4H
InChIKey:
CDWWPXNAXCMGFV-UHFFFAOYSA-N

Cite this record

CBID:286976 http://www.chembase.cn/molecule-286976.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodo-[1,2,4]triazolo[1,5-a]pyridine
IUPAC Traditional name
6-iodo-[1,2,4]triazolo[1,5-a]pyridine
Synonyms
6-Iodo-[1,2,4]triazolo[1,5-a]pyridine
6-Iodo-1,2,4-triazolo[1,5-a]pyridine
6-碘[1,2,3]三唑并[1,5-a]吡啶
CAS Number
614750-84-4
MDL Number
MFCD06797552
PubChem SID
180672507
PubChem CID
17750141

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17750141 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0930185  LogD (pH = 7.4) 2.0937424 
Log P 2.0937517  Molar Refractivity 58.1142 cm3
Polarizability 17.705135 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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