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1020253-14-8 molecular structure
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6-chloro-5-fluoropyridine-3-carbonitrile

ChemBase ID: 93846
Molecular Formular: C6H2ClFN2
Molecular Mass: 156.5448832
Monoisotopic Mass: 155.98905397
SMILES and InChIs

SMILES:
n1cc(cc(c1Cl)F)C#N
Canonical SMILES:
N#Cc1cnc(c(c1)F)Cl
InChI:
InChI=1S/C6H2ClFN2/c7-6-5(8)1-4(2-9)3-10-6/h1,3H
InChIKey:
RDXGTBCVXXDZSO-UHFFFAOYSA-N

Cite this record

CBID:93846 http://www.chembase.cn/molecule-93846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-fluoropyridine-3-carbonitrile
IUPAC Traditional name
6-chloro-5-fluoropyridine-3-carbonitrile
Synonyms
6-Chloro-5-fluoropyridine-3-carbonitrile
6-Chloro-3-cyano-5-fluoropyridine
6-Chloro-5-fluoronicotinonitrile
CAS Number
1020253-14-8
PubChem SID
162080507
PubChem CID
46738683

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46738683 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5785934  LogD (pH = 7.4) 1.5785934 
Log P 1.5785934  Molar Refractivity 35.7052 cm3
Polarizability 13.029934 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
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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