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13600-47-0 molecular structure
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5-aminopyridine-3-carbonitrile

ChemBase ID: 68287
Molecular Formular: C6H5N3
Molecular Mass: 119.124
Monoisotopic Mass: 119.04834718
SMILES and InChIs

SMILES:
C(#N)c1cc(cnc1)N
Canonical SMILES:
Nc1cc(cnc1)C#N
InChI:
InChI=1S/C6H5N3/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,8H2
InChIKey:
VGGLPUFUWXSMFB-UHFFFAOYSA-N

Cite this record

CBID:68287 http://www.chembase.cn/molecule-68287.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-aminopyridine-3-carbonitrile
IUPAC Traditional name
5-aminopyridine-3-carbonitrile
Synonyms
5-Aminonicotinonitrile
5-AMINO-3-PYRIDINECARBONITRILE
CAS Number
13600-47-0
MDL Number
MFCD07367907
PubChem SID
162034019
PubChem CID
22416568

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.21735108  LogD (pH = 7.4) -0.21725757 
Log P -0.21725638  Molar Refractivity 34.3231 cm3
Polarizability 12.403323 Å3 Polar Surface Area 62.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
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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