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69042-30-4 molecular structure
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1-chloro-2,7-naphthyridine

ChemBase ID: 63349
Molecular Formular: C8H5ClN2
Molecular Mass: 164.5917
Monoisotopic Mass: 164.01412585
SMILES and InChIs

SMILES:
c12ccnc(Cl)c1cncc2
Canonical SMILES:
Clc1nccc2c1cncc2
InChI:
InChI=1S/C8H5ClN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1-5H
InChIKey:
UIQLQYQMGHYABX-UHFFFAOYSA-N

Cite this record

CBID:63349 http://www.chembase.cn/molecule-63349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-2,7-naphthyridine
IUPAC Traditional name
1-chloro-2,7-naphthyridine
Synonyms
1-Chloro-[2,7]naphthyridine
1-Chloro-2,7-naphthyridine
CAS Number
69042-30-4
MDL Number
MFCD00234389
PubChem SID
162029088
PubChem CID
13082170

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3511934  LogD (pH = 7.4) 1.3515944 
Log P 1.3515996  Molar Refractivity 44.0605 cm3
Polarizability 17.983332 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
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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