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27187-13-9 molecular structure
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5-chloro-[1,2,4]triazolo[4,3-a]pyridine

ChemBase ID: 64529
Molecular Formular: C6H4ClN3
Molecular Mass: 153.56906
Monoisotopic Mass: 153.00937482
SMILES and InChIs

SMILES:
n12c(nnc2)cccc1Cl
Canonical SMILES:
Clc1cccc2n1cnn2
InChI:
InChI=1S/C6H4ClN3/c7-5-2-1-3-6-9-8-4-10(5)6/h1-4H
InChIKey:
FBQZXTMUYNKLRF-UHFFFAOYSA-N

Cite this record

CBID:64529 http://www.chembase.cn/molecule-64529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Traditional name
5-chloro-[1,2,4]triazolo[4,3-a]pyridine
Synonyms
5-Chloro-[1,2,4]triazolo[4,3-a]pyridine
CAS Number
27187-13-9
MDL Number
MFCD11109431
PubChem SID
162030268
PubChem CID
324440

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 324440 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.11778911  LogD (pH = 7.4) 0.11814851 
Log P 0.118153095  Molar Refractivity 40.9585 cm3
Polarizability 14.35268 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
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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