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1185309-69-6 molecular structure
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5-nitro-2-(piperidin-4-yloxy)pyridine hydrochloride

ChemBase ID: 47397
Molecular Formular: C10H14ClN3O3
Molecular Mass: 259.68946
Monoisotopic Mass: 259.072369
SMILES and InChIs

SMILES:
[N+](=O)(c1cnc(OC2CCNCC2)cc1)[O-].Cl
Canonical SMILES:
[O-][N+](=O)c1ccc(nc1)OC1CCNCC1.Cl
InChI:
InChI=1S/C10H13N3O3.ClH/c14-13(15)8-1-2-10(12-7-8)16-9-3-5-11-6-4-9;/h1-2,7,9,11H,3-6H2;1H
InChIKey:
GBINWFFFZSLLKX-UHFFFAOYSA-N

Cite this record

CBID:47397 http://www.chembase.cn/molecule-47397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-nitro-2-(piperidin-4-yloxy)pyridine hydrochloride
IUPAC Traditional name
5-nitro-2-(piperidin-4-yloxy)pyridine hydrochloride
Synonyms
5-Nitro-2-(4-piperidinyloxy)pyridine hydrochloride
CAS Number
1185309-69-6
MDL Number
MFCD09607571
PubChem SID
162052160
PubChem CID
45786951

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 45786951 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4312901  LogD (pH = 7.4) -1.5869027 
Log P 0.776102  Molar Refractivity 58.1589 cm3
Polarizability 22.032116 Å3 Polar Surface Area 79.97 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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