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878437-60-6 molecular structure
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3-{8-methylimidazo[1,2-a]pyridin-2-yl}aniline

ChemBase ID: 31343
Molecular Formular: C14H13N3
Molecular Mass: 223.27312
Monoisotopic Mass: 223.11094743
SMILES and InChIs

SMILES:
n1c2n(cc1c1cc(N)ccc1)cccc2C
Canonical SMILES:
Nc1cccc(c1)c1cn2c(n1)c(C)ccc2
InChI:
InChI=1S/C14H13N3/c1-10-4-3-7-17-9-13(16-14(10)17)11-5-2-6-12(15)8-11/h2-9H,15H2,1H3
InChIKey:
WQRLDBJIXDSJHU-UHFFFAOYSA-N

Cite this record

CBID:31343 http://www.chembase.cn/molecule-31343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{8-methylimidazo[1,2-a]pyridin-2-yl}aniline
IUPAC Traditional name
3-{8-methylimidazo[1,2-a]pyridin-2-yl}aniline
Synonyms
3-(8-Methyl-imidazo[1,2-a]pyridin-2-yl)-phenylamine
[3-(8-Methylimidazo[1,2-a]pyridin-2-yl)phenyl]amine
CAS Number
878437-60-6
MDL Number
MFCD04971850
PubChem SID
160994650
PubChem CID
2771076

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2771076 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9565063  LogD (pH = 7.4) 2.464028 
Log P 2.4771206  Molar Refractivity 70.4422 cm3
Polarizability 27.212177 Å3 Polar Surface Area 43.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
2.083 expand Show data source
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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