NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
6-(3-methylpiperazin-1-yl)pyridine-3-carboxylic acid
|
|
|
IUPAC Traditional name
|
6-(3-methylpiperazin-1-yl)pyridine-3-carboxylic acid
|
|
|
Synonyms
|
6-(3-Methylpiperazin-1-yl)pyridine-3-carboxylic acid
|
3-Carboxy-6-(3-methylpiperazin-1-yl)pyridine
|
1-(5-Carboxypyridin-2-yl)-3-methylpiperazine
|
6-(3-Methylpiperazin-1-yl)nicotinic acid
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
1.8727697
|
H Acceptors
|
5
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-1.5270045
|
LogD (pH = 7.4)
|
-1.4872895
|
Log P
|
-1.4807998
|
Molar Refractivity
|
61.0736 cm3
|
Polarizability
|
22.920143 Å3
|
Polar Surface Area
|
65.46 Å2
|
Rotatable Bonds
|
2
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
Irritant
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent