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259683-28-8 molecular structure
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6-(morpholin-4-yl)pyridine-3-carbonitrile

ChemBase ID: 74207
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
n1cc(ccc1N1CCOCC1)C#N
Canonical SMILES:
N#Cc1ccc(nc1)N1CCOCC1
InChI:
InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
InChIKey:
MWMUIALBOFAVDT-UHFFFAOYSA-N

Cite this record

CBID:74207 http://www.chembase.cn/molecule-74207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(morpholin-4-yl)pyridine-3-carbonitrile
IUPAC Traditional name
6-(morpholin-4-yl)pyridine-3-carbonitrile
Synonyms
2-(4-Morpholino)pyridine-5-carbonitrile
6-(Morpholin-4-yl)nicotinonitrile
6-morpholin-4-ylnicotinonitrile
CAS Number
259683-28-8
MDL Number
MFCD00832846
PubChem SID
162039126
PubChem CID
2737021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737021 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0952506  LogD (pH = 7.4) 1.0956652 
Log P 1.0956705  Molar Refractivity 53.4393 cm3
Polarizability 19.738274 Å3 Polar Surface Area 49.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
115-118°C expand Show data source
123 - 125°C expand Show data source
Hydrophobicity(logP)
0.644 expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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