Home > Compound List > Compound details
408314-14-7 molecular structure
click picture or here to close

6-chloro-1H-[1,2,3]triazolo[4,5-b]pyridine

ChemBase ID: 294034
Molecular Formular: C5H3ClN4
Molecular Mass: 154.55712
Monoisotopic Mass: 154.0046238
SMILES and InChIs

SMILES:
Clc1cnc2c([nH]nn2)c1
Canonical SMILES:
Clc1cnc2c(c1)[nH]nn2
InChI:
InChI=1S/C5H3ClN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)
InChIKey:
NXXWBQZFDQGBPK-UHFFFAOYSA-N

Cite this record

CBID:294034 http://www.chembase.cn/molecule-294034.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-1H-[1,2,3]triazolo[4,5-b]pyridine
IUPAC Traditional name
6-chloro-1H-[1,2,3]triazolo[4,5-b]pyridine
Synonyms
6-Chloro-1H-[1,2,3]triazolo[4,5-b]pyridine
CAS Number
408314-14-7
PubChem SID
180679565
PubChem CID
55253488

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD58571 Please log in.
Data Source Data ID
PubChem 55253488 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.0562596  H Acceptors
H Donor LogD (pH = 5.5) 1.0010532 
LogD (pH = 7.4) 0.52942294  Log P 1.012659 
Molar Refractivity 38.2788 cm3 Polarizability 14.161812 Å3
Polar Surface Area 54.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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