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103999-77-5 molecular structure
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2,5-dichloro-3-fluoropyridine

ChemBase ID: 38358
Molecular Formular: C5H2Cl2FN
Molecular Mass: 165.9804832
Monoisotopic Mass: 164.95483265
SMILES and InChIs

SMILES:
c1(c(cc(cn1)Cl)F)Cl
Canonical SMILES:
Clc1cnc(c(c1)F)Cl
InChI:
InChI=1S/C5H2Cl2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey:
UMURTAGJSLLLMZ-UHFFFAOYSA-N

Cite this record

CBID:38358 http://www.chembase.cn/molecule-38358.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloro-3-fluoropyridine
IUPAC Traditional name
2,5-dichloro-3-fluoropyridine
Synonyms
2,5-Dichloro-3-fluoropyridine 96%
2,5-Dichloro-3-fluoropyridine
CAS Number
103999-77-5
MDL Number
MFCD10699709
PubChem SID
161001665
PubChem CID
10964877

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10964877 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.326542  LogD (pH = 7.4) 2.326542 
Log P 2.326542  Molar Refractivity 34.7884 cm3
Polarizability 13.153211 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54-56°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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