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681004-51-3 molecular structure
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6-(1H-imidazol-1-yl)pyridin-3-amine

ChemBase ID: 254874
Molecular Formular: C8H8N4
Molecular Mass: 160.17592
Monoisotopic Mass: 160.07489628
SMILES and InChIs

SMILES:
n1(c2ncc(N)cc2)cncc1
Canonical SMILES:
Nc1ccc(nc1)n1cncc1
InChI:
InChI=1S/C8H8N4/c9-7-1-2-8(11-5-7)12-4-3-10-6-12/h1-6H,9H2
InChIKey:
UFWXRIGFDXKOQI-UHFFFAOYSA-N

Cite this record

CBID:254874 http://www.chembase.cn/molecule-254874.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(1H-imidazol-1-yl)pyridin-3-amine
IUPAC Traditional name
6-(imidazol-1-yl)pyridin-3-amine
Synonyms
6-(1H-imidazol-1-yl)pyridin-3-amine
CAS Number
681004-51-3
MDL Number
MFCD08668590
PubChem SID
164310784
PubChem CID
10374708

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-30760 external link Add to cart Please log in.
Data Source Data ID
PubChem 10374708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.76302266  LogD (pH = 7.4) -0.16421154 
Log P -0.1356  Molar Refractivity 56.8634 cm3
Polarizability 16.980148 Å3 Polar Surface Area 56.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
114 - 116°C expand Show data source
Hydrophobicity(logP)
0.221 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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