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Home > Fluorides > 1259680-61-9
1259680-61-9 | 4(1H)-Pyridinone, 3-hydroxy-1,2-dimethyl-5-[2,2,2-trifluoro-1-(4-methyl-1-piperazinyl)ethyl]-
CAS No: 1259680-61-9 Catalog No: AG000QLN MDL No:
Product Description
Catalog Number:
AG000QLN
Chemical Name:
4(1H)-Pyridinone, 3-hydroxy-1,2-dimethyl-5-[2,2,2-trifluoro-1-(4-methyl-1-piperazinyl)ethyl]-
CAS Number:
1259680-61-9
Molecular Formula:
C14H20F3N3O2
Molecular Weight:
319.3227
IUPAC Name:
3-hydroxy-1,2-dimethyl-5-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]pyridin-4-one
InChI:
InChI=1S/C14H20F3N3O2/c1-9-11(21)12(22)10(8-19(9)3)13(14(15,16)17)20-6-4-18(2)5-7-20/h8,13,21H,4-7H2,1-3H3
InChI Key:
DSYNTQLOTBGUKO-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(C(F)(F)F)c1cn(C)c(c(c1=O)O)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.328g/mol
Monoisotopic Mass:
319.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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