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15827-84-6 molecular structure
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4-aminopyridine-3-carbonitrile

ChemBase ID: 271619
Molecular Formular: C6H5N3
Molecular Mass: 119.124
Monoisotopic Mass: 119.04834718
SMILES and InChIs

SMILES:
c1(C#N)c(N)ccnc1
Canonical SMILES:
N#Cc1cnccc1N
InChI:
InChI=1S/C6H5N3/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,(H2,8,9)
InChIKey:
LCUHGVFLYAQKDO-UHFFFAOYSA-N

Cite this record

CBID:271619 http://www.chembase.cn/molecule-271619.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopyridine-3-carbonitrile
IUPAC Traditional name
4-aminopyridine-3-carbonitrile
Synonyms
4-aminopyridine-3-carbonitrile
4-AMINO-NICOTINONITRILE
CAS Number
15827-84-6
MDL Number
MFCD04035595
PubChem SID
164327529
PubChem CID
577016

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 577016 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4226014  LogD (pH = 7.4) -0.2207916 
Log P -0.21725638  Molar Refractivity 34.3231 cm3
Polarizability 12.399583 Å3 Polar Surface Area 62.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
170 - 172°C expand Show data source
Hydrophobicity(logP)
0.037 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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