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107238-27-7 molecular structure
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5,6-diaminopyridine-3-carbonitrile

ChemBase ID: 802226
Molecular Formular: C6H6N4
Molecular Mass: 134.13864
Monoisotopic Mass: 134.05924621
SMILES and InChIs

SMILES:
n1c(c(cc(c1)C#N)N)N
Canonical SMILES:
N#Cc1cnc(c(c1)N)N
InChI:
InChI=1S/C6H6N4/c7-2-4-1-5(8)6(9)10-3-4/h1,3H,8H2,(H2,9,10)
InChIKey:
AZSZQUXILYAWCD-UHFFFAOYSA-N

Cite this record

CBID:802226 http://www.chembase.cn/molecule-802226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-diaminopyridine-3-carbonitrile
IUPAC Traditional name
5,6-diaminopyridine-3-carbonitrile
Synonyms
5-CYANO-2,3-DIAMINOPYRIDINE
CAS Number
107238-27-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18651 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18651 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.45463824  LogD (pH = 7.4) -0.4517616 
Log P -0.4517248  Molar Refractivity 39.337 cm3
Polarizability 13.554968 Å3 Polar Surface Area 88.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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