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31563-00-5 molecular structure
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2-(4-methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide

ChemBase ID: 73466
Molecular Formular: C14H13BrN2O
Molecular Mass: 305.16982
Monoisotopic Mass: 304.02112505
SMILES and InChIs

SMILES:
n1c2n(cccc2)cc1c1ccc(cc1)OC.Br
Canonical SMILES:
COc1ccc(cc1)c1nc2n(c1)cccc2.Br
InChI:
InChI=1S/C14H12N2O.BrH/c1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13;/h2-10H,1H3;1H
InChIKey:
DKAUBYPVNZWKNN-UHFFFAOYSA-N

Cite this record

CBID:73466 http://www.chembase.cn/molecule-73466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide
IUPAC Traditional name
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide
Synonyms
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide
CAS Number
31563-00-5
MDL Number
MFCD06245389
PubChem SID
162038386
PubChem CID
2771692

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2771692 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2682495  LogD (pH = 7.4) 2.6274726 
Log P 2.6349537  Molar Refractivity 67.1638 cm3
Polarizability 26.803059 Å3 Polar Surface Area 26.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Toxic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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