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253-45-2 molecular structure
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2,7-naphthyridine

ChemBase ID: 798138
Molecular Formular: C8H6N2
Molecular Mass: 130.14664
Monoisotopic Mass: 130.0530982
SMILES and InChIs

SMILES:
c1ncc2cnccc2c1
Canonical SMILES:
n1ccc2c(c1)cncc2
InChI:
InChI=1S/C8H6N2/c1-3-9-5-8-6-10-4-2-7(1)8/h1-6H
InChIKey:
HCMMECMKVPHMDE-UHFFFAOYSA-N

Cite this record

CBID:798138 http://www.chembase.cn/molecule-798138.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,7-naphthyridine
IUPAC Traditional name
2,7-naphthyridine
Synonyms
2,7-naphthyridine
CAS Number
253-45-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10458 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10458 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) 0.5239974  LogD (pH = 7.4) 0.527335 
Log P 0.5273777  Molar Refractivity 38.1944 cm3
Polarizability 16.107338 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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