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1211595-29-7 molecular structure
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8-chloro-6-(pyridin-4-yl)-1,7-naphthyridine

ChemBase ID: 798777
Molecular Formular: C13H8ClN3
Molecular Mass: 241.67572
Monoisotopic Mass: 241.04067495
SMILES and InChIs

SMILES:
c1cnc2c(nc(cc2c1)c1ccncc1)Cl
Canonical SMILES:
Clc1nc(cc2c1nccc2)c1ccncc1
InChI:
InChI=1S/C13H8ClN3/c14-13-12-10(2-1-5-16-12)8-11(17-13)9-3-6-15-7-4-9/h1-8H
InChIKey:
YETCPVJIUJSNAL-UHFFFAOYSA-N

Cite this record

CBID:798777 http://www.chembase.cn/molecule-798777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-chloro-6-(pyridin-4-yl)-1,7-naphthyridine
IUPAC Traditional name
8-chloro-6-(pyridin-4-yl)-1,7-naphthyridine
Synonyms
8-chloro-6-(pyridin-4-yl)-1,7-naphthyridine
CAS Number
1211595-29-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12253 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5367007  LogD (pH = 7.4) 2.5526452 
Log P 2.552853  Molar Refractivity 66.2958 cm3
Polarizability 28.105669 Å3 Polar Surface Area 38.67 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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