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1196156-08-7 molecular structure
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2-ethynyl-5-phenylpyridine

ChemBase ID: 813969
Molecular Formular: C13H9N
Molecular Mass: 179.21726
Monoisotopic Mass: 179.07349929
SMILES and InChIs

SMILES:
n1c(ccc(c1)c1ccccc1)C#C
Canonical SMILES:
C#Cc1ccc(cn1)c1ccccc1
InChI:
InChI=1S/C13H9N/c1-2-13-9-8-12(10-14-13)11-6-4-3-5-7-11/h1,3-10H
InChIKey:
UQEHPEIUUBCXBI-UHFFFAOYSA-N

Cite this record

CBID:813969 http://www.chembase.cn/molecule-813969.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethynyl-5-phenylpyridine
IUPAC Traditional name
2-ethynyl-5-phenylpyridine
Synonyms
2-ethynyl-5-phenylpyridine
CAS Number
1196156-08-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36087 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36087 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) 2.9374454  LogD (pH = 7.4) 2.9394586 
Log P 2.9394844  Molar Refractivity 53.8376 cm3
Polarizability 23.109694 Å3 Polar Surface Area 12.89 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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