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Home > Fluorides > 824968-16-3
824968-16-3 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(2-pyridinyl)-3-(trifluoromethyl)-
CAS No: 824968-16-3 Catalog No: AG004URT MDL No:
Product Description
Catalog Number:
AG004URT
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(2-pyridinyl)-3-(trifluoromethyl)-
CAS Number:
824968-16-3
Molecular Formula:
C16H9F3N4
Molecular Weight:
314.2647
IUPAC Name:
5-pyridin-2-yl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C16H9F3N4/c17-16(18,19)15-14-13(22-23-15)10-6-2-1-5-9(10)12(21-14)11-7-3-4-8-20-11/h1-8H,(H,22,23)
InChI Key:
KSRKGRPIIQVWSS-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]c2c1nc(c1ccccn1)c1c2cccc1)(F)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.271g/mol
Monoisotopic Mass:
314.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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