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149806-52-0 molecular structure
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1-(5-bromopyridin-2-yl)piperidin-4-ol

ChemBase ID: 48660
Molecular Formular: C10H13BrN2O
Molecular Mass: 257.12702
Monoisotopic Mass: 256.02112505
SMILES and InChIs

SMILES:
N1(c2ncc(cc2)Br)CCC(CC1)O
Canonical SMILES:
OC1CCN(CC1)c1ccc(cn1)Br
InChI:
InChI=1S/C10H13BrN2O/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h1-2,7,9,14H,3-6H2
InChIKey:
LSGWHPYPLCIXCK-UHFFFAOYSA-N

Cite this record

CBID:48660 http://www.chembase.cn/molecule-48660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(5-bromopyridin-2-yl)piperidin-4-ol
IUPAC Traditional name
1-(5-bromopyridin-2-yl)piperidin-4-ol
Synonyms
1-(5-Bromo-2-pyridinyl)-4-piperidinol
CAS Number
149806-52-0
MDL Number
MFCD09910226
PubChem SID
162053423
PubChem CID
21897837

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
052148 external link Add to cart Please log in.
Data Source Data ID
PubChem 21897837 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.177715  H Acceptors
H Donor LogD (pH = 5.5) 1.48881 
LogD (pH = 7.4) 1.5441307  Log P 1.544887 
Molar Refractivity 59.9903 cm3 Polarizability 22.508198 Å3
Polar Surface Area 36.36 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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