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80935-78-0 molecular structure
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1-chloro-2,6-naphthyridine

ChemBase ID: 813516
Molecular Formular: C8H5ClN2
Molecular Mass: 164.5917
Monoisotopic Mass: 164.01412585
SMILES and InChIs

SMILES:
c1nc(c2ccncc2c1)Cl
Canonical SMILES:
Clc1nccc2c1ccnc2
InChI:
InChI=1S/C8H5ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1-5H
InChIKey:
WNHXOMIPBUWDIJ-UHFFFAOYSA-N

Cite this record

CBID:813516 http://www.chembase.cn/molecule-813516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-2,6-naphthyridine
IUPAC Traditional name
1-chloro-2,6-naphthyridine
Synonyms
1-CHLORO-2,6-NAPHTHYRIDINE
CAS Number
80935-78-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35238 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35238 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) 1.3512777  LogD (pH = 7.4) 1.3515955 
Log P 1.3515996  Molar Refractivity 44.0605 cm3
Polarizability 17.980837 Å3 Polar Surface Area 25.78 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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