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881419-06-3 molecular structure
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4-(3-fluoro-4-methoxyphenyl)pyridine

ChemBase ID: 71375
Molecular Formular: C12H10FNO
Molecular Mass: 203.2123032
Monoisotopic Mass: 203.07464217
SMILES and InChIs

SMILES:
c1cc(ccn1)c1cc(c(cc1)OC)F
Canonical SMILES:
COc1ccc(cc1F)c1ccncc1
InChI:
InChI=1S/C12H10FNO/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,1H3
InChIKey:
SSQRKGMAMVYKQY-UHFFFAOYSA-N

Cite this record

CBID:71375 http://www.chembase.cn/molecule-71375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-fluoro-4-methoxyphenyl)pyridine
IUPAC Traditional name
4-(3-fluoro-4-methoxyphenyl)pyridine
Synonyms
4-(3-Fluoro-4-methoxyphenyl)pyridine
CAS Number
881419-06-3
MDL Number
MFCD15475402
PubChem SID
162036965
PubChem CID
11701239

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 11701239 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2668786  LogD (pH = 7.4) 2.3860106 
Log P 2.3878293  Molar Refractivity 55.7169 cm3
Polarizability 22.540722 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
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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