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59782-90-0 molecular structure
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2,3-dichloro-5-methylpyridine

ChemBase ID: 50561
Molecular Formular: C6H5Cl2N
Molecular Mass: 162.0166
Monoisotopic Mass: 160.97990453
SMILES and InChIs

SMILES:
c1(cnc(c(c1)Cl)Cl)C
Canonical SMILES:
Cc1cnc(c(c1)Cl)Cl
InChI:
InChI=1S/C6H5Cl2N/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKey:
YZZGJHDTYZOSIH-UHFFFAOYSA-N

Cite this record

CBID:50561 http://www.chembase.cn/molecule-50561.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-5-methylpyridine
IUPAC Traditional name
2,3-dichloro-5-methylpyridine
Synonyms
2,3-Dichloro-5-methylpyridine
2,3-Dichloro-5-methylpyridine
5,6-Dichloro-3-picoline
CAS Number
59782-90-0
MDL Number
MFCD08704667
PubChem SID
162055324
PubChem CID
12747761

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.69726  LogD (pH = 7.4) 2.6972613 
Log P 2.6972613  Molar Refractivity 39.6132 cm3
Polarizability 15.079974 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
45-47°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
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H5Cl2N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000749 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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