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38186-84-4 molecular structure
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2-chloro-5-fluoro-3-methylpyridine

ChemBase ID: 68139
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
c1(c(cc(cn1)F)C)Cl
Canonical SMILES:
Fc1cnc(c(c1)C)Cl
InChI:
InChI=1S/C6H5ClFN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
InChIKey:
FMPYGEFGXUAAKG-UHFFFAOYSA-N

Cite this record

CBID:68139 http://www.chembase.cn/molecule-68139.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-fluoro-3-methylpyridine
IUPAC Traditional name
2-chloro-5-fluoro-3-methylpyridine
Synonyms
2-Chloro-5-fluoro-3-picoline
2-Chloro-5-fluoro-3-picoline
2-Chloro-5-fluoro-3-methylpyridine 98%
2-CHLORO-5-FLUORO-3-METHYLPYRIDINE
CAS Number
38186-84-4
MDL Number
MFCD04972725
PubChem SID
162033871
PubChem CID
12852014

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2359185  LogD (pH = 7.4) 2.2359185 
Log P 2.2359185  Molar Refractivity 35.0248 cm3
Polarizability 12.869538 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
43-46°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
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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