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511522-70-6 molecular structure
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2-chloro-4,5-difluoropyridine

ChemBase ID: 799174
Molecular Formular: C5H2ClF2N
Molecular Mass: 149.5258864
Monoisotopic Mass: 148.98438319
SMILES and InChIs

SMILES:
n1c(cc(c(c1)F)F)Cl
Canonical SMILES:
Clc1ncc(c(c1)F)F
InChI:
InChI=1S/C5H2ClF2N/c6-5-1-3(7)4(8)2-9-5/h1-2H
InChIKey:
NKHHRTHUHYUPCZ-UHFFFAOYSA-N

Cite this record

CBID:799174 http://www.chembase.cn/molecule-799174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4,5-difluoropyridine
IUPAC Traditional name
2-chloro-4,5-difluoropyridine
Synonyms
2-chloro-4,5-difluoropyridine
CAS Number
511522-70-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13446 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13446 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) 1.8651991  LogD (pH = 7.4) 1.8651991 
Log P 1.8651991  Molar Refractivity 30.2 cm3
Polarizability 11.003503 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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