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933746-87-3 molecular structure
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1,8-naphthyridine-3-carbaldehyde

ChemBase ID: 813777
Molecular Formular: C9H6N2O
Molecular Mass: 158.15674
Monoisotopic Mass: 158.04801282
SMILES and InChIs

SMILES:
c1(cnc2ncccc2c1)C=O
Canonical SMILES:
O=Cc1cnc2c(c1)cccn2
InChI:
InChI=1S/C9H6N2O/c12-6-7-4-8-2-1-3-10-9(8)11-5-7/h1-6H
InChIKey:
WXENZULYFDWZPV-UHFFFAOYSA-N

Cite this record

CBID:813777 http://www.chembase.cn/molecule-813777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,8-naphthyridine-3-carbaldehyde
IUPAC Traditional name
1,8-naphthyridine-3-carbaldehyde
Synonyms
1,8-naphthyridine-3-carbaldehyde
CAS Number
933746-87-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35860 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35860 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 0.950735  Molar Refractivity 45.9792 cm3
Polarizability 17.271555 Å3 Polar Surface Area 42.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.9507314  LogD (pH = 7.4) 0.9507349 

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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