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1039775-38-6 molecular structure
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2-methoxy-6-(4-methylphenyl)pyridine

ChemBase ID: 290838
Molecular Formular: C13H13NO
Molecular Mass: 199.24842
Monoisotopic Mass: 199.09971404
SMILES and InChIs

SMILES:
Cc1ccc(c2cccc(OC)n2)cc1
Canonical SMILES:
COc1cccc(n1)c1ccc(cc1)C
InChI:
InChI=1S/C13H13NO/c1-10-6-8-11(9-7-10)12-4-3-5-13(14-12)15-2/h3-9H,1-2H3
InChIKey:
ZBVRAXSEDWSMAN-UHFFFAOYSA-N

Cite this record

CBID:290838 http://www.chembase.cn/molecule-290838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-6-(4-methylphenyl)pyridine
IUPAC Traditional name
2-methoxy-6-(4-methylphenyl)pyridine
Synonyms
2-Methoxy-6-(p-tolyl)pyridine
CAS Number
1039775-38-6
PubChem SID
180676369
PubChem CID
54758828

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230134 Please log in.
Data Source Data ID
PubChem 54758828 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7385013  LogD (pH = 7.4) 3.7388523 
Log P 3.7388568  Molar Refractivity 60.4832 cm3
Polarizability 24.74546 Å3 Polar Surface Area 22.12 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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