2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate

C98H121BrCl7F6N7O18 — CID 158663524

About 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate

2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate (PubChem CID 158663524) has the molecular formula C98H121BrCl7F6N7O18 and a molecular weight of 2127.14 g/mol. Its IUPAC name is 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate.

Molecular Properties

• Compound Name: 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate
• PubChem CID: 158663524
• Molecular Formula: C98H121BrCl7F6N7O18
• Molecular Weight: 2127.14 g/mol
• Exact Mass: 2121.57
• IUPAC Name: 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate
• SMILES: CCOC(=O)CC(=O)OCC.CCOC(=O)Cc1ncccc1Cl.CCOC(=O)c1cc(CCOC)n2cccc(Cl)c12.COCCC(Br)C=O.COCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.COCCc1cc(C(=O)O)c2c(Cl)cccn12.Clc1cccnc1Cl.NCC1CCC(F)(F)CC1.O=C(CCC1CCC(F)(F)CC1)c1cc(CCO)n2cccc(Cl)c12
• InChI: InChI=1S/C20H24ClF2NO2.C19H22ClF2NO2.C14H16ClNO3.C12H12ClNO3.C9H10ClNO2.C7H13F2N.C7H12O4.C5H9BrO2.C5H3Cl2N/c1-26-12-8-15-13-16(19-17(21)3-2-11-24(15)19)18(25)5-4-14-6-9-20(22,23)10-7-14;20-16-2-1-10-23-14(7-11-24)12-15(18(16)23)17(25)4-3-13-5-8-19(21,22)9-6-13;1-3-19-14(17)11-9-10(6-8-18-2)16-7-4-5-12(15)13(11)16;1-17-6-4-8-7-9(12(15)16)11-10(13)3-2-5-14(8)11;1-2-13-9(12)6-8-7(10)4-3-5-11-8;8-7(9)3-1-6(5-10)2-4-7;1-3-10-6(8)5-7(9)11-4-2;1-8-3-2-5(6)4-7;6-4-2-1-3-8-5(4)7/h2-3,11,13-14H,4-10,12H2,1H3;1-2,10,12-13,24H,3-9,11H2;4-5,7,9H,3,6,8H2,1-2H3;2-3,5,7H,4,6H2,1H3,(H,15,16);3-5H,2,6H2,1H3;6H,1-5,10H2;3-5H2,1-2H3;4-5H,2-3H2,1H3;1-3H
• InChIKey: IDBCIJHAIWPPSF-UHFFFAOYSA-N
• XLogP: 23.41
• TPSA: 320.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.14
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate?

The IUPAC name of 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate (CID 158663524) is 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate.

What is the SMILES notation for 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate?

The canonical SMILES for 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate is CCOC(=O)CC(=O)OCC.CCOC(=O)Cc1ncccc1Cl.CCOC(=O)c1cc(CCOC)n2cccc(Cl)c12.COCCC(Br)C=O.COCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.COCCc1cc(C(=O)O)c2c(Cl)cccn12.Clc1cccnc1Cl.NCC1CCC(F)(F)CC1.O=C(CCC1CCC(F)(F)CC1)c1cc(CCO)n2cccc(Cl)c12.

What is the InChIKey of 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate?

The InChIKey is IDBCIJHAIWPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF2NO2.C19H22ClF2NO2.C14H16ClNO3.C12H12ClNO3.C9H10ClNO2.C7H13F2N.C7H12O4.C5H9BrO2.C5H3Cl2N/c1-26-12-8-15-13-16(19-17(21)3-2-11-24(15)19)18(25)5-4-14-6-9-20(22,23)10-7-14;20-16-2-1-10-23-14(7-11-24)12-15(18(16)23)17(25)4-3-13-5-8-19(21,22)9-6-13;1-3-19-14(17)11-9-10(6-8-18-2)16-7-4-5-12(15)13(11)16;1-17-6-4-8-7-9(12(15)16)11-10(13)3-2-5-14(8)11;1-2-13-9(12)6-8-7(10)4-3-5-11-8;8-7(9)3-1-6(5-10)2-4-7;1-3-10-6(8)5-7(9)11-4-2;1-8-3-2-5(6)4-7;6-4-2-1-3-8-5(4)7/h2-3,11,13-14H,4-10,12H2,1H3;1-2,10,12-13,24H,3-9,11H2;4-5,7,9H,3,6,8H2,1-2H3;2-3,5,7H,4,6H2,1H3,(H,15,16);3-5H,2,6H2,1H3;6H,1-5,10H2;3-5H2,1-2H3;4-5H,2-3H2,1H3;1-3H.

What are the key properties of 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate?

2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate has a molecular weight of 2127.14 g/mol, XLogP of 23.41, 34 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-methoxybutanal;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylic acid;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;2,3-dichloropyridine;diethyl propanedioate;(4,4-difluorocyclohexyl)methanamine;ethyl 8-chloro-3-(2-methoxyethyl)indolizine-1-carboxylate;ethyl 2-(3-chloro-2-pyridinyl)acetate is sourced from PubChem (CID 158663524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).