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676371-00-9 molecular structure
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6-bromoimidazo[1,2-a]pyridin-8-amine

ChemBase ID: 64894
Molecular Formular: C7H6BrN3
Molecular Mass: 212.04664
Monoisotopic Mass: 210.97450921
SMILES and InChIs

SMILES:
c1(cc(cn2c1ncc2)Br)N
Canonical SMILES:
Brc1cc(N)c2n(c1)ccn2
InChI:
InChI=1S/C7H6BrN3/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H,9H2
InChIKey:
NBHRWSCVWCCKDN-UHFFFAOYSA-N

Cite this record

CBID:64894 http://www.chembase.cn/molecule-64894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromoimidazo[1,2-a]pyridin-8-amine
IUPAC Traditional name
6-bromoimidazo[1,2-a]pyridin-8-amine
Synonyms
6-Bromo-1H-imidazo[1,2-a]pyridin-8-amine
6-Bromoimidazo[1,2-a]pyridin-8-ylamine
6-Bromoimidazo[1,2-a]pyridin-8-amine
8-Amino-6-bromoimidazo[1,2-a]pyridine
CAS Number
676371-00-9
MDL Number
MFCD08273920
MFCD13250043
PubChem SID
162030633
PubChem CID
17750394

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.22381543  LogD (pH = 7.4) 0.5914333 
Log P 0.6993761  Molar Refractivity 48.2596 cm3
Polarizability 17.2983 Å3 Polar Surface Area 43.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive/Store under Argon/Keep Cold 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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