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524674-59-7 molecular structure
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2-chloro-6-(pyrrolidin-2-yl)pyridine

ChemBase ID: 812346
Molecular Formular: C9H11ClN2
Molecular Mass: 182.65004
Monoisotopic Mass: 182.06107604
SMILES and InChIs

SMILES:
n1c(cccc1C1NCCC1)Cl
Canonical SMILES:
Clc1cccc(n1)C1CCCN1
InChI:
InChI=1S/C9H11ClN2/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1,3,5,7,11H,2,4,6H2
InChIKey:
GBUAOTWEEYSOGG-UHFFFAOYSA-N

Cite this record

CBID:812346 http://www.chembase.cn/molecule-812346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(pyrrolidin-2-yl)pyridine
IUPAC Traditional name
2-chloro-6-(pyrrolidin-2-yl)pyridine
Synonyms
2-CHLORO-6-(PYRROLIDIN-2-YL)PYRIDINE
CAS Number
524674-59-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32350 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32350 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3064607  LogD (pH = 7.4) -0.084000714 
Log P 1.8373697  Molar Refractivity 49.7793 cm3
Polarizability 19.516459 Å3 Polar Surface Area 24.92 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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