NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-nitro-1,4-dihydropyridin-4-one
|
|
|
IUPAC Traditional name
|
|
Synonyms
|
3-Nitropyridin-4-ol
|
3-nitro-1,4-dihydropyridin-4-one
|
|
|
CAS Number
|
|
MDL Number
|
MFCD00051957
|
MFCD00128874
|
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
11.319996
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.044039275
|
LogD (pH = 7.4)
|
0.04399018
|
Log P
|
0.0440399
|
Molar Refractivity
|
32.9059 cm3
|
Polarizability
|
11.991937 Å3
|
Polar Surface Area
|
72.24 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
|
97%
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent