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1233205-73-6 molecular structure
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2-ethynyl-6-fluoropyridine

ChemBase ID: 292604
Molecular Formular: C7H4FN
Molecular Mass: 121.1117632
Monoisotopic Mass: 121.03277735
SMILES and InChIs

SMILES:
Fc1cccc(n1)C#C
Canonical SMILES:
C#Cc1cccc(n1)F
InChI:
InChI=1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKey:
JFEWFXHNPSMINO-UHFFFAOYSA-N

Cite this record

CBID:292604 http://www.chembase.cn/molecule-292604.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethynyl-6-fluoropyridine
IUPAC Traditional name
2-ethynyl-6-fluoropyridine
Synonyms
2-Ethynyl-6-fluoropyridine
CAS Number
1233205-73-6
PubChem SID
180678135
PubChem CID
58574354

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241453 Please log in.
Data Source Data ID
PubChem 58574354 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8288916  LogD (pH = 7.4) 1.8288916 
Log P 1.8288916  Molar Refractivity 29.9325 cm3
Polarizability 11.682589 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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