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132097-09-7 molecular structure
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2,4-dichloro-3-methylpyridine

ChemBase ID: 167086
Molecular Formular: C6H5Cl2N
Molecular Mass: 162.0166
Monoisotopic Mass: 160.97990453
SMILES and InChIs

SMILES:
c1cnc(c(c1Cl)C)Cl
Canonical SMILES:
Cc1c(Cl)ccnc1Cl
InChI:
InChI=1S/C6H5Cl2N/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3
InChIKey:
CHXVGBPDDVLUTO-UHFFFAOYSA-N

Cite this record

CBID:167086 http://www.chembase.cn/molecule-167086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-3-methylpyridine
IUPAC Traditional name
2,4-dichloro-3-methylpyridine
Synonyms
2,4-Dichloro-3-methylpyridine
CAS Number
132097-09-7
PubChem SID
162261219
PubChem CID
21275764

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6972558  LogD (pH = 7.4) 2.6972613 
Log P 2.6972613  Molar Refractivity 39.6132 cm3
Polarizability 15.045282 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D435480 external link
Used for preparation of imidazo[4,5-b]pyridine derivatives for treatment of diseases caused by gastric acid.

REFERENCES

REFERENCES

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  • • Fukui, K., et al.: Bull. Chem. Soc., 33, 122 (1960)
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PATENTS

PATENTS

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INTERNET

INTERNET

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