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1256817-44-3 molecular structure
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2-cyclopropyl-5-ethynylpyridine

ChemBase ID: 796881
Molecular Formular: C10H9N
Molecular Mass: 143.18516
Monoisotopic Mass: 143.07349929
SMILES and InChIs

SMILES:
n1c(ccc(c1)C#C)C1CC1
Canonical SMILES:
C#Cc1ccc(nc1)C1CC1
InChI:
InChI=1S/C10H9N/c1-2-8-3-6-10(11-7-8)9-4-5-9/h1,3,6-7,9H,4-5H2
InChIKey:
FONCFFVGYOOJQS-UHFFFAOYSA-N

Cite this record

CBID:796881 http://www.chembase.cn/molecule-796881.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropyl-5-ethynylpyridine
IUPAC Traditional name
2-cyclopropyl-5-ethynylpyridine
Synonyms
2-Cyclopropyl-5-ethynylpyridine
CAS Number
1256817-44-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4771 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4771 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) 1.7868528  LogD (pH = 7.4) 1.8171734 
Log P 1.8175751  Molar Refractivity 41.0641 cm3
Polarizability 16.73757 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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