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1092352-43-6 molecular structure
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4-bromo-2-(piperidin-1-yl)pyridine-3-carbaldehyde

ChemBase ID: 64763
Molecular Formular: C11H13BrN2O
Molecular Mass: 269.13772
Monoisotopic Mass: 268.02112505
SMILES and InChIs

SMILES:
c1cnc(c(c1Br)C=O)N1CCCCC1
Canonical SMILES:
O=Cc1c(Br)ccnc1N1CCCCC1
InChI:
InChI=1S/C11H13BrN2O/c12-10-4-5-13-11(9(10)8-15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKey:
IUCVVPLFRSWSHW-UHFFFAOYSA-N

Cite this record

CBID:64763 http://www.chembase.cn/molecule-64763.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-(piperidin-1-yl)pyridine-3-carbaldehyde
IUPAC Traditional name
4-bromo-2-(piperidin-1-yl)pyridine-3-carbaldehyde
Synonyms
4-Bromo-3-formyl-2-(N-piperidinyl)pyridine
CAS Number
1092352-43-6
MDL Number
MFCD11505880
PubChem SID
162030502
PubChem CID
37819155

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 37819155 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.76579  LogD (pH = 7.4) 2.789386 
Log P 2.789696  Molar Refractivity 64.992 cm3
Polarizability 23.772432 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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