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374633-32-6 molecular structure
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2-chloro-3-fluoro-6-methylpyridine

ChemBase ID: 68029
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
c1(c(ccc(n1)C)F)Cl
Canonical SMILES:
Cc1ccc(c(n1)Cl)F
InChI:
InChI=1S/C6H5ClFN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
InChIKey:
BGDYLOGCMJAUHR-UHFFFAOYSA-N

Cite this record

CBID:68029 http://www.chembase.cn/molecule-68029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-fluoro-6-methylpyridine
IUPAC Traditional name
2-chloro-3-fluoro-6-methylpyridine
Synonyms
2-Chloro-3-fluoro-6-picoline
2-chloro-3-fluoro-6-methylpyridine
CAS Number
374633-32-6
MDL Number
MFCD03095216
PubChem SID
162033761
PubChem CID
40418623

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8538666  LogD (pH = 7.4) 1.8538673 
Log P 1.8538673  Molar Refractivity 34.5751 cm3
Polarizability 12.898584 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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