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Home > Fluorides > 1464091-49-3
1464091-49-3 | 1H-Pyrrolo[3,2-b]pyridine-2,7(4H,7aH)-dione, 5-cyclopropyl-3-(2-fluorophenyl)-
CAS No: 1464091-49-3 Catalog No: AG001DZJ MDL No:
Product Description
Catalog Number:
AG001DZJ
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2,7(4H,7aH)-dione, 5-cyclopropyl-3-(2-fluorophenyl)-
CAS Number:
1464091-49-3
Molecular Formula:
C16H13FN2O2
Molecular Weight:
284.2850
IUPAC Name:
5-cyclopropyl-3-(2-fluorophenyl)-4,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-2,7-dione
InChI:
InChI=1S/C16H13FN2O2/c17-10-4-2-1-3-9(10)13-15-14(19-16(13)21)12(20)7-11(18-15)8-5-6-8/h1-4,7-8,14,18H,5-6H2,(H,19,21)
InChI Key:
DOTMSXJHSUHSRM-UHFFFAOYSA-N
SMILES:
O=C1C=C(NC2=C(C(=O)NC12)c1ccccc1F)C1CC1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.29g/mol
Monoisotopic Mass:
284.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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