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851178-99-9 molecular structure
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4-chloro-2,3-difluoropyridine

ChemBase ID: 795798
Molecular Formular: C5H2ClF2N
Molecular Mass: 149.5258864
Monoisotopic Mass: 148.98438319
SMILES and InChIs

SMILES:
n1c(c(c(cc1)Cl)F)F
Canonical SMILES:
Fc1c(Cl)ccnc1F
InChI:
InChI=1S/C5H2ClF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKey:
RFFJEZRNZLNVBG-UHFFFAOYSA-N

Cite this record

CBID:795798 http://www.chembase.cn/molecule-795798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,3-difluoropyridine
IUPAC Traditional name
4-chloro-2,3-difluoropyridine
Synonyms
2,3-Difluoro-4-chloropyridine
CAS Number
851178-99-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O615 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O615 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) 2.0389526  LogD (pH = 7.4) 2.0389526 
Log P 2.0389526  Molar Refractivity 30.1534 cm3
Polarizability 10.979528 Å3 Polar Surface Area 12.89 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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