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332135-62-3 molecular structure
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1-(6-bromopyridin-2-yl)pyrrolidin-3-ol

ChemBase ID: 804093
Molecular Formular: C9H11BrN2O
Molecular Mass: 243.10044
Monoisotopic Mass: 242.00547498
SMILES and InChIs

SMILES:
n1c(cccc1N1CC(CC1)O)Br
Canonical SMILES:
OC1CCN(C1)c1cccc(n1)Br
InChI:
InChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-5-4-7(13)6-12/h1-3,7,13H,4-6H2
InChIKey:
WWHTZWXAZJJPRA-UHFFFAOYSA-N

Cite this record

CBID:804093 http://www.chembase.cn/molecule-804093.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-bromopyridin-2-yl)pyrrolidin-3-ol
IUPAC Traditional name
1-(6-bromopyridin-2-yl)pyrrolidin-3-ol
Synonyms
2-BROMO-6-(3-HYDROXYPYRROLIDIN-1-YL)PYRIDINE
CAS Number
332135-62-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20948 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20948 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.829907  H Acceptors
H Donor LogD (pH = 5.5) 1.6895835 
LogD (pH = 7.4) 1.6904384  Log P 1.6904492 
Molar Refractivity 55.9671 cm3 Polarizability 20.7454 Å3
Polar Surface Area 36.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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