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22109-56-4 molecular structure
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2,3,5-trichloro-6-methylpyridine

ChemBase ID: 291284
Molecular Formular: C6H4Cl3N
Molecular Mass: 196.46166
Monoisotopic Mass: 194.94093217
SMILES and InChIs

SMILES:
Cc1c(Cl)cc(Cl)c(Cl)n1
Canonical SMILES:
Clc1cc(Cl)c(nc1C)Cl
InChI:
InChI=1S/C6H4Cl3N/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
InChIKey:
ZJHCKQCUYPAKOW-UHFFFAOYSA-N

Cite this record

CBID:291284 http://www.chembase.cn/molecule-291284.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5-trichloro-6-methylpyridine
IUPAC Traditional name
2,3,5-trichloro-6-methylpyridine
Synonyms
2,3,5-Trichloro-6-methylpyridine
CAS Number
22109-56-4
MDL Number
MFCD18783195
PubChem SID
180676815
PubChem CID
11019808

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231053 Please log in.
Data Source Data ID
PubChem 11019808 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9192548  LogD (pH = 7.4) 2.9192548 
Log P 2.9192548  Molar Refractivity 43.9683 cm3
Polarizability 17.044285 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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