Home > Compound List > Compound details
936470-68-7 molecular structure
click picture or here to close

7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol

ChemBase ID: 170217
Molecular Formular: C8H8N2O2
Molecular Mass: 164.16132
Monoisotopic Mass: 164.05857751
SMILES and InChIs

SMILES:
n1cc(c2c(c1OC)[nH]cc2)O
Canonical SMILES:
COc1ncc(c2c1[nH]cc2)O
InChI:
InChI=1S/C8H8N2O2/c1-12-8-7-5(2-3-9-7)6(11)4-10-8/h2-4,9,11H,1H3
InChIKey:
LKUWKIKHLJCCNZ-UHFFFAOYSA-N

Cite this record

CBID:170217 http://www.chembase.cn/molecule-170217.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol
IUPAC Traditional name
7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol
Synonyms
7-Methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol
4-Hydroxy-7-methoxy-6-azaindole
CAS Number
936470-68-7
PubChem SID
164226127
PubChem CID
29981172

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H825400 external link Add to cart
PubChem 29981172 external link
Data Source Data ID Price
TRC
H825400 external link Add to cart Please log in.
Data Source Data ID
PubChem 29981172 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.32437  H Acceptors
H Donor LogD (pH = 5.5) 0.98222226 
LogD (pH = 7.4) 0.9824357  Log P 0.98755634 
Molar Refractivity 43.7452 cm3 Polarizability 17.777552 Å3
Polar Surface Area 58.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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