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280573-47-9 molecular structure
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1-[2-(4-fluorophenyl)pyridin-3-yl]ethan-1-one

ChemBase ID: 812866
Molecular Formular: C13H10FNO
Molecular Mass: 215.2230032
Monoisotopic Mass: 215.07464217
SMILES and InChIs

SMILES:
n1c(c(ccc1)C(=O)C)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)c1ncccc1C(=O)C
InChI:
InChI=1S/C13H10FNO/c1-9(16)12-3-2-8-15-13(12)10-4-6-11(14)7-5-10/h2-8H,1H3
InChIKey:
HAZXYMHTMRXXTO-UHFFFAOYSA-N

Cite this record

CBID:812866 http://www.chembase.cn/molecule-812866.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(4-fluorophenyl)pyridin-3-yl]ethan-1-one
IUPAC Traditional name
1-[2-(4-fluorophenyl)pyridin-3-yl]ethanone
Synonyms
3-ACETYL-2-(4-FLUOROPHENYL)-PYRIDINE
CAS Number
280573-47-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33614 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33614 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.48663  H Acceptors
H Donor LogD (pH = 5.5) 2.484188 
LogD (pH = 7.4) 2.4889376  Log P 2.4889984 
Molar Refractivity 59.2845 cm3 Polarizability 23.767153 Å3
Polar Surface Area 29.96 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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