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1214388-30-3 molecular structure
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ethyl 5-chloro-6-fluoropyridine-2-carboxylate

ChemBase ID: 801156
Molecular Formular: C8H7ClFNO2
Molecular Mass: 203.5980832
Monoisotopic Mass: 203.01493437
SMILES and InChIs

SMILES:
n1c(c(ccc1C(=O)OCC)Cl)F
Canonical SMILES:
CCOC(=O)c1ccc(c(n1)F)Cl
InChI:
InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-4-3-5(9)7(10)11-6/h3-4H,2H2,1H3
InChIKey:
LFHUTIQXRGRQRZ-UHFFFAOYSA-N

Cite this record

CBID:801156 http://www.chembase.cn/molecule-801156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-chloro-6-fluoropyridine-2-carboxylate
IUPAC Traditional name
ethyl 5-chloro-6-fluoropyridine-2-carboxylate
Synonyms
ETHYL 3-CHLORO-2-FLUORO-6-PYRIDINECARBOXYLATE
CAS Number
1214388-30-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17476 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17476 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.442386  LogD (pH = 7.4) 2.442386 
Log P 2.442386  Molar Refractivity 46.3389 cm3
Polarizability 17.466866 Å3 Polar Surface Area 39.19 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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