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24255-97-8 molecular structure
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2-bromo-6-(piperidin-1-yl)pyridine

ChemBase ID: 90199
Molecular Formular: C10H13BrN2
Molecular Mass: 241.12762
Monoisotopic Mass: 240.02621043
SMILES and InChIs

SMILES:
n1c(cccc1N1CCCCC1)Br
Canonical SMILES:
Brc1cccc(n1)N1CCCCC1
InChI:
InChI=1S/C10H13BrN2/c11-9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2
InChIKey:
YHQZMCNKHWPFBS-UHFFFAOYSA-N

Cite this record

CBID:90199 http://www.chembase.cn/molecule-90199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-(piperidin-1-yl)pyridine
IUPAC Traditional name
2-bromo-6-(piperidin-1-yl)pyridine
Synonyms
2-bromo-6-piperidinopyridine
2-Bromo-6-(piperidin-1-yl)pyridine
CAS Number
24255-97-8
MDL Number
MFCD07772823
PubChem SID
162077037
PubChem CID
7164597

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7164597 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2817926  LogD (pH = 7.4) 3.2827039 
Log P 3.2827156  Molar Refractivity 59.2502 cm3
Polarizability 21.868725 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
110-112°C/0.1mm expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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