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1330750-37-2 molecular structure
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ethyl 6-(5-fluoro-2-methylphenyl)pyridine-2-carboxylate

ChemBase ID: 290940
Molecular Formular: C15H14FNO2
Molecular Mass: 259.2755632
Monoisotopic Mass: 259.10085691
SMILES and InChIs

SMILES:
O=C(OCC)c1nc(c2cc(F)ccc2C)ccc1
Canonical SMILES:
CCOC(=O)c1cccc(n1)c1cc(F)ccc1C
InChI:
InChI=1S/C15H14FNO2/c1-3-19-15(18)14-6-4-5-13(17-14)12-9-11(16)8-7-10(12)2/h4-9H,3H2,1-2H3
InChIKey:
PJMDBXWPCQSFDB-UHFFFAOYSA-N

Cite this record

CBID:290940 http://www.chembase.cn/molecule-290940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-(5-fluoro-2-methylphenyl)pyridine-2-carboxylate
IUPAC Traditional name
ethyl 6-(5-fluoro-2-methylphenyl)pyridine-2-carboxylate
Synonyms
Ethyl 6-(5-fluoro-2-methylphenyl)picolinate
CAS Number
1330750-37-2
PubChem SID
180676471
PubChem CID
54759100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230405 Please log in.
Data Source Data ID
PubChem 54759100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9908857  LogD (pH = 7.4) 3.9909074 
Log P 3.9909077  Molar Refractivity 70.3248 cm3
Polarizability 28.059921 Å3 Polar Surface Area 39.19 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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