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1190314-42-1 molecular structure
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7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine

ChemBase ID: 289193
Molecular Formular: C8H7BrN2O
Molecular Mass: 227.05798
Monoisotopic Mass: 225.97417485
SMILES and InChIs

SMILES:
COc1c(Br)c2[nH]ccc2cn1
Canonical SMILES:
COc1ncc2c(c1Br)[nH]cc2
InChI:
InChI=1S/C8H7BrN2O/c1-12-8-6(9)7-5(4-11-8)2-3-10-7/h2-4,10H,1H3
InChIKey:
ZXZUHJRQHVJHJN-UHFFFAOYSA-N

Cite this record

CBID:289193 http://www.chembase.cn/molecule-289193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
IUPAC Traditional name
7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
Synonyms
7-Bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CAS Number
1190314-42-1
PubChem SID
180674724
PubChem CID
53399660

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD217088 Please log in.
Data Source Data ID
PubChem 53399660 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.415809  H Acceptors
H Donor LogD (pH = 5.5) 2.0210383 
LogD (pH = 7.4) 2.0593612  Log P 2.0598743 
Molar Refractivity 49.3871 cm3 Polarizability 19.946602 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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