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1011711-58-2 molecular structure
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4-propoxy-1H-pyrrolo[2,3-b]pyridine

ChemBase ID: 292585
Molecular Formular: C10H12N2O
Molecular Mass: 176.21508
Monoisotopic Mass: 176.09496301
SMILES and InChIs

SMILES:
CCCOc1ccnc2c1cc[nH]2
Canonical SMILES:
CCCOc1ccnc2c1cc[nH]2
InChI:
InChI=1S/C10H12N2O/c1-2-7-13-9-4-6-12-10-8(9)3-5-11-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey:
HSKZWIBUTZHXOR-UHFFFAOYSA-N

Cite this record

CBID:292585 http://www.chembase.cn/molecule-292585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-propoxy-1H-pyrrolo[2,3-b]pyridine
IUPAC Traditional name
4-propoxy-1H-pyrrolo[2,3-b]pyridine
Synonyms
4-Propoxy-1H-pyrrolo[2,3-b]pyridine
CAS Number
1011711-58-2
PubChem SID
180678116
PubChem CID
24801187

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241432 Please log in.
Data Source Data ID
PubChem 24801187 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.204313  H Acceptors
H Donor LogD (pH = 5.5) 1.6085519 
LogD (pH = 7.4) 1.9364084  Log P 1.9434565 
Molar Refractivity 50.676 cm3 Polarizability 20.183298 Å3
Polar Surface Area 37.91 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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