2-[(2-Fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrolo[2,3-...
C17H16FIN4O3
2252314-46-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.4921 5.7308 0.0 0
M  V30 2 N 10.9984 5.4106 0.0 0
M  V30 3 O 9.0162 7.1955 0.0 0
M  V30 4 O 12.0289 6.5550 0.0 0
M  V30 5 C 13.5352 6.2348 0.0 0
M  V30 6 C 14.5656 7.3794 0.0 0
M  V30 7 O 16.0721 7.0592 0.0 0
M  V30 8 N 6.1600 6.0810 0.0 0
M  V30 9 C 4.7973 3.0202 0.0 0
M  V30 10 F 4.6200 8.7484 0.0 0
M  V30 11 I 0.0000 6.0810 0.0 0
M  V30 12 C 8.4615 4.5864 0.0 0
M  V30 13 C 8.7819 3.0800 0.0 0
M  V30 14 C 6.9300 4.7474 0.0 0
M  V30 15 C 7.4481 2.3100 0.0 0
M  V30 16 C 10.1155 2.3100 0.0 0
M  V30 17 N 6.3037 3.3406 0.0 0
M  V30 18 N 7.4481 0.7700 0.0 0
M  V30 19 C 10.1155 0.7700 0.0 0
M  V30 20 C 8.7819 0.0000 0.0 0
M  V30 21 C 4.6200 6.0810 0.0 0
M  V30 22 C 3.8500 7.4148 0.0 0
M  V30 23 C 3.8500 4.7474 0.0 0
M  V30 24 C 2.3100 7.4148 0.0 0
M  V30 25 C 2.3100 4.7474 0.0 0
M  V30 26 C 1.5400 6.0810 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 12
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 8 14
M  V30 9 1 8 21
M  V30 10 1 9 17
M  V30 11 1 10 22
M  V30 12 1 11 26
M  V30 13 1 12 13
M  V30 14 2 12 14
M  V30 15 1 13 15
M  V30 16 2 13 16
M  V30 17 1 14 17
M  V30 18 1 15 17
M  V30 19 2 15 18
M  V30 20 1 16 19
M  V30 21 1 18 20
M  V30 22 2 19 20
M  V30 23 2 21 22
M  V30 24 1 21 23
M  V30 25 1 22 24
M  V30 26 2 23 25
M  V30 27 2 24 26
M  V30 28 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2252314-46-6

> <cas.index.name>
1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, 2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-

> <molecular.formula>
C17H16FIN4O3

> <molecular.weight>
470.24

> <density.predicted>
1.76±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.26±0.10    Most Acidic Temp: 25 °C

$$$$
