Home > Compound List > Compound details
1261998-84-8 molecular structure
click picture or here to close

6-(1-benzothiophen-2-yl)pyridin-3-ol

ChemBase ID: 291040
Molecular Formular: C13H9NOS
Molecular Mass: 227.28166
Monoisotopic Mass: 227.04048491
SMILES and InChIs

SMILES:
Oc1ccc(c2cc3ccccc3s2)nc1
Canonical SMILES:
Oc1ccc(nc1)c1cc2c(s1)cccc2
InChI:
InChI=1S/C13H9NOS/c15-10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8,15H
InChIKey:
RTRDZUIOYHWHQF-UHFFFAOYSA-N

Cite this record

CBID:291040 http://www.chembase.cn/molecule-291040.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(1-benzothiophen-2-yl)pyridin-3-ol
IUPAC Traditional name
6-(1-benzothiophen-2-yl)pyridin-3-ol
Synonyms
6-(Benzo[b]thiophen-2-yl)pyridin-3-ol
CAS Number
1261998-84-8
PubChem SID
180676571
PubChem CID
53229429

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230632 Please log in.
Data Source Data ID
PubChem 53229429 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.001224  H Acceptors
H Donor LogD (pH = 5.5) 3.3553526 
LogD (pH = 7.4) 3.3472416  Log P 3.3578146 
Molar Refractivity 63.7704 cm3 Polarizability 27.235054 Å3
Polar Surface Area 33.12 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