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906352-80-5 molecular structure
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5-(chloromethyl)-2-(oxan-4-yloxy)pyridine

ChemBase ID: 77635
Molecular Formular: C11H14ClNO2
Molecular Mass: 227.68736
Monoisotopic Mass: 227.07130637
SMILES and InChIs

SMILES:
n1c(ccc(c1)CCl)OC1CCOCC1
Canonical SMILES:
ClCc1ccc(nc1)OC1CCOCC1
InChI:
InChI=1S/C11H14ClNO2/c12-7-9-1-2-11(13-8-9)15-10-3-5-14-6-4-10/h1-2,8,10H,3-7H2
InChIKey:
XPOHCIVJYJZKHS-UHFFFAOYSA-N

Cite this record

CBID:77635 http://www.chembase.cn/molecule-77635.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(chloromethyl)-2-(oxan-4-yloxy)pyridine
IUPAC Traditional name
5-(chloromethyl)-2-(oxan-4-yloxy)pyridine
Synonyms
5-(chloromethyl)-2-(tetrahydropyran-4-yloxy)pyridine
4-{[5-(Chloromethyl)pyridin-2-yl]oxy}tetrahydro-2H-pyran
5-(Chloromethyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]pyridine 97%
CAS Number
906352-80-5
MDL Number
MFCD09817495
PubChem SID
162042507
PubChem CID
24229581

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229581 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.740315  LogD (pH = 7.4) 1.7407819 
Log P 1.7407879  Molar Refractivity 59.0202 cm3
Polarizability 22.967308 Å3 Polar Surface Area 31.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42.5-45.5°C expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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