3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide

C140H128Br9F7N8O19 — CID 161127199

About 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide

3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide (PubChem CID 161127199) has the molecular formula C140H128Br9F7N8O19 and a molecular weight of 3078.72 g/mol. Its IUPAC name is 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide.

Molecular Properties

• Compound Name: 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide
• PubChem CID: 161127199
• Molecular Formula: C140H128Br9F7N8O19
• Molecular Weight: 3078.72 g/mol
• Exact Mass: 3068.18
• IUPAC Name: 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide
• SMILES: C#CC(=O)OCC.CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(F)c12.Fc1cccnc1.N[C@H]1CCCC[C@@H]1O.O=C(CBr)c1ccc(Br)cc1.O=C(C[C@H]1CCCC[C@@H]1O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(F)c12.O=C(C[C@H]1CCCC[C@@H]1O)c1cc(C(O)c2ccc(Br)cc2)n2cccc(F)c12.O=C(C[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(Br)cc2)n2cccc(F)c12.O=C(C[n+]1cccc(F)c1)c1ccc(Br)cc1.O=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(F)c12.[Br-]
• InChI: InChI=1S/C23H23BrFNO3.C23H21BrFNO3.C23H23BrFNO2.C18H13BrFNO3.C16H9BrFNO3.C13H10BrFNO.C8H6Br2O.C6H13NO.C5H4FN.C5H6O2.BrH/c2*24-16-9-7-14(8-10-16)23(29)19-13-17(22-18(25)5-3-11-26(19)22)21(28)12-15-4-1-2-6-20(15)27;24-17-9-7-15(8-10-17)12-18-14-19(23-20(25)5-3-11-26(18)23)22(28)13-16-4-1-2-6-21(16)27;1-2-24-18(23)13-10-15(21-9-3-4-14(20)16(13)21)17(22)11-5-7-12(19)8-6-11;17-10-5-3-9(4-6-10)15(20)13-8-11(16(21)22)14-12(18)2-1-7-19(13)14;14-11-5-3-10(4-6-11)13(17)9-16-7-1-2-12(15)8-16;9-5-8(11)6-1-3-7(10)4-2-6;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5;1-3-5(6)7-4-2;/h3,5,7-11,13,15,20,23,27,29H,1-2,4,6,12H2;3,5,7-11,13,15,20,27H,1-2,4,6,12H2;3,5,7-11,14,16,21,27H,1-2,4,6,12-13H2;3-10H,2H2,1H3;1-8H,(H,21,22);1-8H,9H2;1-4H,5H2;5-6,8H,1-4,7H2;1-4H;1H,4H2,2H3;1H/q;;;;;+1;;;;;/p-1/t15-,20+,23?;15-,20+;16-,21+;;;;;5-,6-;;;/m111....0.../s1
• InChIKey: LDMDJJTXGCIUMI-BWVPKAGDSA-M
• XLogP: 28.26
• TPSA: 392.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3078.72
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide?

The IUPAC name of 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide (CID 161127199) is 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide.

What is the SMILES notation for 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide?

The canonical SMILES for 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide is C#CC(=O)OCC.CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(F)c12.Fc1cccnc1.N[C@H]1CCCC[C@@H]1O.O=C(CBr)c1ccc(Br)cc1.O=C(C[C@H]1CCCC[C@@H]1O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(F)c12.O=C(C[C@H]1CCCC[C@@H]1O)c1cc(C(O)c2ccc(Br)cc2)n2cccc(F)c12.O=C(C[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(Br)cc2)n2cccc(F)c12.O=C(C[n+]1cccc(F)c1)c1ccc(Br)cc1.O=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(F)c12.[Br-].

What is the InChIKey of 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide?

The InChIKey is LDMDJJTXGCIUMI-BWVPKAGDSA-M. The full InChI is InChI=1S/C23H23BrFNO3.C23H21BrFNO3.C23H23BrFNO2.C18H13BrFNO3.C16H9BrFNO3.C13H10BrFNO.C8H6Br2O.C6H13NO.C5H4FN.C5H6O2.BrH/c2*24-16-9-7-14(8-10-16)23(29)19-13-17(22-18(25)5-3-11-26(19)22)21(28)12-15-4-1-2-6-20(15)27;24-17-9-7-15(8-10-17)12-18-14-19(23-20(25)5-3-11-26(18)23)22(28)13-16-4-1-2-6-21(16)27;1-2-24-18(23)13-10-15(21-9-3-4-14(20)16(13)21)17(22)11-5-7-12(19)8-6-11;17-10-5-3-9(4-6-10)15(20)13-8-11(16(21)22)14-12(18)2-1-7-19(13)14;14-11-5-3-10(4-6-11)13(17)9-16-7-1-2-12(15)8-16;9-5-8(11)6-1-3-7(10)4-2-6;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5;1-3-5(6)7-4-2;/h3,5,7-11,13,15,20,23,27,29H,1-2,4,6,12H2;3,5,7-11,13,15,20,27H,1-2,4,6,12H2;3,5,7-11,14,16,21,27H,1-2,4,6,12-13H2;3-10H,2H2,1H3;1-8H,(H,21,22);1-8H,9H2;1-4H,5H2;5-6,8H,1-4,7H2;1-4H;1H,4H2,2H3;1H/q;;;;;+1;;;;;/p-1/t15-,20+,23?;15-,20+;16-,21+;;;;;5-,6-;;;/m111....0.../s1.

What are the key properties of 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide?

3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide has a molecular weight of 3078.72 g/mol, XLogP of 28.26, 28 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylic acid;1-[3-(4-bromobenzoyl)-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone;1-[3-[(4-bromophenyl)-hydroxymethyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;1-[3-[(4-bromophenyl)methyl]-8-fluoroindolizin-1-yl]-2-[(1R,2S)-2-hydroxycyclohexyl]ethanone;ethyl 3-(4-bromobenzoyl)-8-fluoroindolizine-1-carboxylate;ethyl prop-2-ynoate;3-fluoropyridine;trans-(1S,2S)-2-aminocyclohexan-1-ol;bromide is sourced from PubChem (CID 161127199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).