sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide

C96H99BrClF8N8NaO14 — CID 158844856

About sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide

sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide (PubChem CID 158844856) has the molecular formula C96H99BrClF8N8NaO14 and a molecular weight of 1879.22 g/mol. Its IUPAC name is sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide
• PubChem CID: 158844856
• Molecular Formula: C96H99BrClF8N8NaO14
• Molecular Weight: 1879.22 g/mol
• Exact Mass: 1876.59
• IUPAC Name: sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide
• SMILES: CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2c(F)cccc2F)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1c(F)cccc1F.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3c(F)cccc3F)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.Fc1cccc(F)c1CBr.[Na+].[OH-]
• InChI: InChI=1S/C27H27F2N3O3.C21H21F2NO3.C19H17F2NO3.C14H17NO3.C8H11ClN2O.C7H5BrF2.Na.H2O/c1-15-11-16(2)31-27(34)21(15)13-30-26(33)20-12-19-7-6-10-32(19)25(17(20)3)18(4)35-14-22-23(28)8-5-9-24(22)29;1-4-26-21(25)16-11-15-7-6-10-24(15)20(13(16)2)14(3)27-12-17-18(22)8-5-9-19(17)23;1-11-14(19(23)24)9-13-5-4-8-22(13)18(11)12(2)25-10-15-16(20)6-3-7-17(15)21;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;8-4-5-6(9)2-1-3-7(5)10;;/h5-12,18H,13-14H2,1-4H3,(H,30,33)(H,31,34);5-11,14H,4,12H2,1-3H3;3-9,12H,10H2,1-2H3,(H,23,24);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-3H,4H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: IYRRFOVBCKXEJM-UHFFFAOYSA-M
• XLogP: 17.92
• TPSA: 292.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1879.22
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide?

The IUPAC name of sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide (CID 158844856) is sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide.

What is the SMILES notation for sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide?

The canonical SMILES for sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide is CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2c(F)cccc2F)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1c(F)cccc1F.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3c(F)cccc3F)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.Fc1cccc(F)c1CBr.[Na+].[OH-].

What is the InChIKey of sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide?

The InChIKey is IYRRFOVBCKXEJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H27F2N3O3.C21H21F2NO3.C19H17F2NO3.C14H17NO3.C8H11ClN2O.C7H5BrF2.Na.H2O/c1-15-11-16(2)31-27(34)21(15)13-30-26(33)20-12-19-7-6-10-32(19)25(17(20)3)18(4)35-14-22-23(28)8-5-9-24(22)29;1-4-26-21(25)16-11-15-7-6-10-24(15)20(13(16)2)14(3)27-12-17-18(22)8-5-9-19(17)23;1-11-14(19(23)24)9-13-5-4-8-22(13)18(11)12(2)25-10-15-16(20)6-3-7-17(15)21;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;8-4-5-6(9)2-1-3-7(5)10;;/h5-12,18H,13-14H2,1-4H3,(H,30,33)(H,31,34);5-11,14H,4,12H2,1-3H3;3-9,12H,10H2,1-2H3,(H,23,24);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-3H,4H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide?

sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide has a molecular weight of 1879.22 g/mol, XLogP of 17.92, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-(bromomethyl)-1,3-difluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;ethyl 5-[1-[(2,6-difluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 158844856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).