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581-50-0 molecular structure
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2-(pyridin-3-yl)pyridine

ChemBase ID: 171827
Molecular Formular: C10H8N2
Molecular Mass: 156.18392
Monoisotopic Mass: 156.06874827
SMILES and InChIs

SMILES:
n1cccc(c1)c1ccccn1
Canonical SMILES:
c1ccc(nc1)c1cccnc1
InChI:
InChI=1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
InChIKey:
VEKIYFGCEAJDDT-UHFFFAOYSA-N

Cite this record

CBID:171827 http://www.chembase.cn/molecule-171827.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yl)pyridine
3-(pyridin-2-yl)pyridine
IUPAC Traditional name
2,3'-bipyridine
3-(pyridin-2-yl)pyridine
Synonyms
2-(pyridin-3-yl)pyridine
2,3'-Bipyridine
2,3’-Bipyridyl, 2,3’-Dipyridyl
Isonicoteine
CAS Number
581-50-0
MDL Number
MFCD00006215
PubChem SID
164227737
PubChem CID
11389

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11389 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5343742  LogD (pH = 7.4) 1.5704968 
Log P 1.5709766  Molar Refractivity 46.5084 cm3
Polarizability 19.573769 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Yellow to Light Brown Oil expand Show data source
Boiling Point
102-104°C@0.7 torr expand Show data source
Hydrophobicity(logP)
1.354 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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