Home > Compound List > Compound details
13228-40-5 molecular structure
click picture or here to close

2-(pyridin-2-yl)-1H-indole

ChemBase ID: 73459
Molecular Formular: C13H10N2
Molecular Mass: 194.2319
Monoisotopic Mass: 194.08439833
SMILES and InChIs

SMILES:
[nH]1c(cc2c1cccc2)c1ncccc1
Canonical SMILES:
c1ccc(nc1)c1cc2c([nH]1)cccc2
InChI:
InChI=1S/C13H10N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-9,15H
InChIKey:
OLGGLCIDAMICTA-UHFFFAOYSA-N

Cite this record

CBID:73459 http://www.chembase.cn/molecule-73459.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-2-yl)-1H-indole
IUPAC Traditional name
2-(2-pyridyl)indole
Synonyms
2-(1H-Indol-2-yl)pyridine
2-(Pyridin-2-yl)-1H-indole
CAS Number
13228-40-5
MDL Number
MFCD00033466
PubChem SID
162038379
PubChem CID
270302

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01564 external link Add to cart Please log in.
Data Source Data ID
PubChem 270302 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.008272  H Acceptors
H Donor LogD (pH = 5.5) 2.7906044 
LogD (pH = 7.4) 2.8071961  Log P 2.8074121 
Molar Refractivity 59.6293 cm3 Polarizability 25.810307 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Light Sensitive 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