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1261537-34-1 molecular structure
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ethyl 7H-pyrrolo[2,3-b]pyridine-6-carboxylate

ChemBase ID: 292721
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
CCOC(=O)c1ccc2ccnc2[nH]1
Canonical SMILES:
CCOC(=O)c1ccc2c([nH]1)ncc2
InChI:
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-3-7-5-6-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey:
RRXIGHKGMRKYSJ-UHFFFAOYSA-N

Cite this record

CBID:292721 http://www.chembase.cn/molecule-292721.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 7H-pyrrolo[2,3-b]pyridine-6-carboxylate
IUPAC Traditional name
ethyl 7H-pyrrolo[2,3-b]pyridine-6-carboxylate
Synonyms
Ethyl 7H-pyrrolo[2,3-b]pyridine-6-carboxylate
CAS Number
1261537-34-1
PubChem SID
180678252
PubChem CID
70700990

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241584 Please log in.
Data Source Data ID
PubChem 70700990 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.047347  H Acceptors
H Donor LogD (pH = 5.5) 1.5006862 
LogD (pH = 7.4) 1.425681  Log P 1.5020834 
Molar Refractivity 51.5916 cm3 Polarizability 20.236822 Å3
Polar Surface Area 54.98 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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