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1010422-92-0 molecular structure
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ethyl 6-(trifluoromethyl)pyridine-2-carboxylate

ChemBase ID: 288193
Molecular Formular: C9H8F3NO2
Molecular Mass: 219.1605296
Monoisotopic Mass: 219.05071316
SMILES and InChIs

SMILES:
CCOC(=O)c1nc(ccc1)C(F)(F)F
Canonical SMILES:
CCOC(=O)c1cccc(n1)C(F)(F)F
InChI:
InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-4-3-5-7(13-6)9(10,11)12/h3-5H,2H2,1H3
InChIKey:
YGQOXSZLOJDQBR-UHFFFAOYSA-N

Cite this record

CBID:288193 http://www.chembase.cn/molecule-288193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-(trifluoromethyl)pyridine-2-carboxylate
IUPAC Traditional name
ethyl 6-(trifluoromethyl)pyridine-2-carboxylate
Synonyms
Ethyl 6-(trifluoromethyl)picolinate
CAS Number
1010422-92-0
MDL Number
MFCD11036140
PubChem SID
180673724
PubChem CID
45158823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45158823 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5654073  LogD (pH = 7.4) 2.5654075 
Log P 2.5654075  Molar Refractivity 45.9047 cm3
Polarizability 17.047688 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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