Home > Compound List > Compound details
357263-48-0 molecular structure
click picture or here to close

7-chloro-1H-pyrrolo[3,2-b]pyridine

ChemBase ID: 68224
Molecular Formular: C7H5ClN2
Molecular Mass: 152.581
Monoisotopic Mass: 152.01412585
SMILES and InChIs

SMILES:
[nH]1ccc2nccc(c12)Cl
Canonical SMILES:
Clc1ccnc2c1[nH]cc2
InChI:
InChI=1S/C7H5ClN2/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4,10H
InChIKey:
ZBEYLQBHTDNDDR-UHFFFAOYSA-N

Cite this record

CBID:68224 http://www.chembase.cn/molecule-68224.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-1H-pyrrolo[3,2-b]pyridine
IUPAC Traditional name
7-chloro-1H-pyrrolo[3,2-b]pyridine
Synonyms
7-Chloro-4-azaindole
CAS Number
357263-48-0
MDL Number
MFCD08234945
PubChem SID
162033956
PubChem CID
22476236

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.4787245  H Acceptors
H Donor LogD (pH = 5.5) 1.838397 
LogD (pH = 7.4) 1.844156  Log P 1.8442304 
Molar Refractivity 39.4204 cm3 Polarizability 16.526623 Å3
Polar Surface Area 28.68 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
95+% expand Show data source
98% 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