904816-83-7
2-(2-PYRIDIN-3-YLPYRROLIDIN-1-YL)NICOTINIC ACID
Name2-(2-PYRIDIN-3-YLPYRROLIDIN-1-YL)NICOTINIC ACID
1Identification
【Name】
2-(2-PYRIDIN-3-YLPYRROLIDIN-1-YL)NICOTINIC ACID
【CAS】
【MDL】
MFCD06245465
【English Synonyms】
【Formula】
C15 H15 N3 O2
【MolWeight】
269.302
【Inchi】
InChI=1S/C15H15N3O2/c19-15(20)12-5-2-8-17-14(12)18-9-3-6-13(18)11-4-1-7-16-10-11/h1-2,4-5,7-8,10,13H,3,6,9H2,(H,19,20)
【InChIKey】
InChIKey=NVJUBHSJPRHLHR-UHFFFAOYSA-N
【SMILES】
c1cc(cnc1)C2CCCN2c3c(cccn3)C(=O)O
【MOL File】
2-(2-PYRIDIN-3-YLPYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-PYRIDIN-3-YLPYRROLIDIN-1-YL)NICOTINIC ACID.cml