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23612-31-9 molecular structure
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5-ethoxy-1H-pyrrolo[3,2-b]pyridine

ChemBase ID: 291653
Molecular Formular: C9H10N2O
Molecular Mass: 162.1885
Monoisotopic Mass: 162.07931295
SMILES and InChIs

SMILES:
CCOc1ccc2[nH]ccc2n1
Canonical SMILES:
CCOc1ccc2c(n1)cc[nH]2
InChI:
InChI=1S/C9H10N2O/c1-2-12-9-4-3-7-8(11-9)5-6-10-7/h3-6,10H,2H2,1H3
InChIKey:
JEFWZYJBMYCTNP-UHFFFAOYSA-N

Cite this record

CBID:291653 http://www.chembase.cn/molecule-291653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethoxy-1H-pyrrolo[3,2-b]pyridine
IUPAC Traditional name
5-ethoxy-1H-pyrrolo[3,2-b]pyridine
Synonyms
5-Ethoxy-1H-pyrrolo[3,2-b]pyridine
CAS Number
23612-31-9
MDL Number
MFCD13178620
PubChem SID
180677184
PubChem CID
14822064

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231689 Please log in.
Data Source Data ID
PubChem 14822064 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 37.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.6624565 
H Acceptors H Donor
LogD (pH = 5.5) 2.033318  LogD (pH = 7.4) 2.0337741 
Log P 2.0337799  Molar Refractivity 46.1409 cm3
Polarizability 19.029007 Å3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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