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1261831-63-3 molecular structure
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ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxylate

ChemBase ID: 290939
Molecular Formular: C14H11F2NO2
Molecular Mass: 263.2394464
Monoisotopic Mass: 263.07578504
SMILES and InChIs

SMILES:
O=C(OCC)c1nc(c2cccc(F)c2F)ccc1
Canonical SMILES:
CCOC(=O)c1cccc(n1)c1cccc(c1F)F
InChI:
InChI=1S/C14H11F2NO2/c1-2-19-14(18)12-8-4-7-11(17-12)9-5-3-6-10(15)13(9)16/h3-8H,2H2,1H3
InChIKey:
PHDIUBHOTWAKDN-UHFFFAOYSA-N

Cite this record

CBID:290939 http://www.chembase.cn/molecule-290939.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxylate
IUPAC Traditional name
ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxylate
Synonyms
Ethyl 6-(2,3-difluorophenyl)picolinate
CAS Number
1261831-63-3
PubChem SID
180676470
PubChem CID
54759099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
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Data Source Data ID
PubChem 54759099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.620184  LogD (pH = 7.4) 3.6201882 
Log P 3.6201882  Molar Refractivity 65.5 cm3
Polarizability 25.990297 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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