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51746-87-3 molecular structure
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4-(1H-imidazol-4-yl)pyridine

ChemBase ID: 271080
Molecular Formular: C8H7N3
Molecular Mass: 145.16128
Monoisotopic Mass: 145.06399724
SMILES and InChIs

SMILES:
n1c(c[nH]c1)c1ccncc1
Canonical SMILES:
n1ccc(cc1)c1c[nH]cn1
InChI:
InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChIKey:
AJQQGJNKKDEODG-UHFFFAOYSA-N

Cite this record

CBID:271080 http://www.chembase.cn/molecule-271080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-imidazol-4-yl)pyridine
IUPAC Traditional name
4-(1H-imidazol-4-yl)pyridine
Synonyms
4-(1H-imidazol-4-yl)pyridine
CAS Number
51746-87-3
MDL Number
MFCD08668577
PubChem SID
164326990
PubChem CID
10909696

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10909696 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.583893  H Acceptors
H Donor LogD (pH = 5.5) 0.18813711 
LogD (pH = 7.4) 0.6570883  Log P 0.67017907 
Molar Refractivity 41.6201 cm3 Polarizability 17.226475 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
171 - 173°C expand Show data source
Hydrophobicity(logP)
0.73 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

INTERNET

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