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1203499-46-0 molecular structure
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2-chloro-3-methoxy-5-methylpyridine

ChemBase ID: 50562
Molecular Formular: C7H8ClNO
Molecular Mass: 157.59752
Monoisotopic Mass: 157.02944156
SMILES and InChIs

SMILES:
c1(cnc(c(c1)OC)Cl)C
Canonical SMILES:
COc1cc(C)cnc1Cl
InChI:
InChI=1S/C7H8ClNO/c1-5-3-6(10-2)7(8)9-4-5/h3-4H,1-2H3
InChIKey:
HNYOWJROVIRPCU-UHFFFAOYSA-N

Cite this record

CBID:50562 http://www.chembase.cn/molecule-50562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-methoxy-5-methylpyridine
IUPAC Traditional name
2-chloro-3-methoxy-5-methylpyridine
Synonyms
2-Chloro-3-methoxy-5-methylpyridine
2-Chloro-3-methoxy-5-methylpyridine
CAS Number
1203499-46-0
MDL Number
MFCD13563046
PubChem SID
162055325
PubChem CID
46318108

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9354986  LogD (pH = 7.4) 1.9355447 
Log P 1.9355453  Molar Refractivity 41.2716 cm3
Polarizability 15.679208 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
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
Empirical Formula (Hill Notation)
C7H8ClNO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000750 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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