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3512-75-2 molecular structure
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4-chloro-2,6-dimethylpyridine

ChemBase ID: 67628
Molecular Formular: C7H8ClN
Molecular Mass: 141.59812
Monoisotopic Mass: 141.03452694
SMILES and InChIs

SMILES:
c1(cc(cc(n1)C)Cl)C
Canonical SMILES:
Clc1cc(C)nc(c1)C
InChI:
InChI=1S/C7H8ClN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey:
SXCXPXVEOPFPOH-UHFFFAOYSA-N

Cite this record

CBID:67628 http://www.chembase.cn/molecule-67628.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,6-dimethylpyridine
IUPAC Traditional name
4-chloro-2,6-dimethylpyridine
Synonyms
4-Chloro-2,6-dimethylpyridine
CAS Number
3512-75-2
MDL Number
MFCD01646174
PubChem SID
162033363
PubChem CID
588175

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3494719  LogD (pH = 7.4) 1.6175526 
Log P 1.6223584  Molar Refractivity 37.8889 cm3
Polarizability 14.826731 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
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
97% 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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