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886373-94-0 molecular structure
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5-chloro-2-ethoxy-3-fluoropyridine

ChemBase ID: 807293
Molecular Formular: C7H7ClFNO
Molecular Mass: 175.5879832
Monoisotopic Mass: 175.02001975
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Cl)F)OCC
Canonical SMILES:
CCOc1ncc(cc1F)Cl
InChI:
InChI=1S/C7H7ClFNO/c1-2-11-7-6(9)3-5(8)4-10-7/h3-4H,2H2,1H3
InChIKey:
VWGBQMRDTSDSKE-UHFFFAOYSA-N

Cite this record

CBID:807293 http://www.chembase.cn/molecule-807293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-ethoxy-3-fluoropyridine
IUPAC Traditional name
5-chloro-2-ethoxy-3-fluoropyridine
Synonyms
5-CHLORO-2-ETHOXY-3-FLUOROPYRIDINE
CAS Number
886373-94-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25260 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25260 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) 2.2959142  LogD (pH = 7.4) 2.2959142 
Log P 2.2959142  Molar Refractivity 40.4476 cm3
Polarizability 15.463594 Å3 Polar Surface Area 22.12 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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