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635712-99-1 molecular structure
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6-(benzyloxy)pyridine-3-carbaldehyde

ChemBase ID: 802199
Molecular Formular: C13H11NO2
Molecular Mass: 213.23194
Monoisotopic Mass: 213.0789786
SMILES and InChIs

SMILES:
c1c(cnc(c1)OCc1ccccc1)C=O
Canonical SMILES:
O=Cc1ccc(nc1)OCc1ccccc1
InChI:
InChI=1S/C13H11NO2/c15-9-12-6-7-13(14-8-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey:
BBTGUOBUBJNAGS-UHFFFAOYSA-N

Cite this record

CBID:802199 http://www.chembase.cn/molecule-802199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(benzyloxy)pyridine-3-carbaldehyde
IUPAC Traditional name
6-(benzyloxy)pyridine-3-carbaldehyde
Synonyms
6-(BENZYLOXY)NICOTINALDEHYDE
CAS Number
635712-99-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18611 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18611 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6292872  LogD (pH = 7.4) 2.6293344 
Log P 2.6293352  Molar Refractivity 61.8744 cm3
Polarizability 23.435154 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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