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1214364-48-3 molecular structure
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3-(3-fluorophenyl)-5-methoxypyridine

ChemBase ID: 290730
Molecular Formular: C12H10FNO
Molecular Mass: 203.2123032
Monoisotopic Mass: 203.07464217
SMILES and InChIs

SMILES:
COc1cncc(c2cccc(F)c2)c1
Canonical SMILES:
COc1cncc(c1)c1cccc(c1)F
InChI:
InChI=1S/C12H10FNO/c1-15-12-6-10(7-14-8-12)9-3-2-4-11(13)5-9/h2-8H,1H3
InChIKey:
FNYSJUKNVGXKPE-UHFFFAOYSA-N

Cite this record

CBID:290730 http://www.chembase.cn/molecule-290730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-fluorophenyl)-5-methoxypyridine
IUPAC Traditional name
3-(3-fluorophenyl)-5-methoxypyridine
Synonyms
3-(3-Fluorophenyl)-5-methoxypyridine
CAS Number
1214364-48-3
PubChem SID
180676261
PubChem CID
46312992

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230056 Please log in.
Data Source Data ID
PubChem 46312992 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3585043  LogD (pH = 7.4) 2.3874445 
Log P 2.3878293  Molar Refractivity 55.7169 cm3
Polarizability 22.547401 Å3 Polar Surface Area 22.12 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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