disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide

C82H96BBr4FN8Na2O16 — CID 159622157

About disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide

disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide (PubChem CID 159622157) has the molecular formula C82H96BBr4FN8Na2O16 and a molecular weight of 1845.12 g/mol. Its IUPAC name is disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide
• PubChem CID: 159622157
• Molecular Formula: C82H96BBr4FN8Na2O16
• Molecular Weight: 1845.12 g/mol
• Exact Mass: 1840.36
• IUPAC Name: disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide
• SMILES: C.C.C.C.CCOC(=O)c1cnc2ccc(-c3ccc(C)cc3OC)cn12.CCOC(=O)c1cnc2ccc(B(O)O)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.COc1cc(C)ccc1-c1ccc2ncc(C(=O)O)n2c1.COc1cc(C)ccc1Br.COc1cc(C)ccc1Br.C[O-].Cc1ccc(Br)c(F)c1.[Na+].[Na+].[OH-]
• InChI: InChI=1S/C18H18N2O3.C16H14N2O3.C10H11BN2O4.C10H9BrN2O2.2C8H9BrO.C7H6BrF.CH3O.4CH4.2Na.H2O/c1-4-23-18(21)15-10-19-17-8-6-13(11-20(15)17)14-7-5-12(2)9-16(14)22-3;1-10-3-5-12(14(7-10)21-2)11-4-6-15-17-8-13(16(19)20)18(15)9-11;1-2-17-10(14)8-5-12-9-4-3-7(11(15)16)6-13(8)9;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;2*1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-6(8)7(9)4-5;1-2;;;;;;;/h5-11H,4H2,1-3H3;3-9H,1-2H3,(H,19,20);3-6,15-16H,2H2,1H3;3-6H,2H2,1H3;2*3-5H,1-2H3;2-4H,1H3;1H3;4*1H4;;;1H2/q;;;;;;;-1;;;;;2*+1;/p-1
• InChIKey: MOAJQUZVLORONA-UHFFFAOYSA-M
• XLogP: 11.76
• TPSA: 315.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.12
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

The IUPAC name of disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide (CID 159622157) is disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide.

What is the SMILES notation for disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

The canonical SMILES for disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide is C.C.C.C.CCOC(=O)c1cnc2ccc(-c3ccc(C)cc3OC)cn12.CCOC(=O)c1cnc2ccc(B(O)O)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.COc1cc(C)ccc1-c1ccc2ncc(C(=O)O)n2c1.COc1cc(C)ccc1Br.COc1cc(C)ccc1Br.C[O-].Cc1ccc(Br)c(F)c1.[Na+].[Na+].[OH-].

What is the InChIKey of disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

The InChIKey is MOAJQUZVLORONA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N2O3.C16H14N2O3.C10H11BN2O4.C10H9BrN2O2.2C8H9BrO.C7H6BrF.CH3O.4CH4.2Na.H2O/c1-4-23-18(21)15-10-19-17-8-6-13(11-20(15)17)14-7-5-12(2)9-16(14)22-3;1-10-3-5-12(14(7-10)21-2)11-4-6-15-17-8-13(16(19)20)18(15)9-11;1-2-17-10(14)8-5-12-9-4-3-7(11(15)16)6-13(8)9;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;2*1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-6(8)7(9)4-5;1-2;;;;;;;/h5-11H,4H2,1-3H3;3-9H,1-2H3,(H,19,20);3-6,15-16H,2H2,1H3;3-6H,2H2,1H3;2*3-5H,1-2H3;2-4H,1H3;1H3;4*1H4;;;1H2/q;;;;;;;-1;;;;;2*+1;/p-1.

What are the key properties of disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide has a molecular weight of 1845.12 g/mol, XLogP of 11.76, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;1-bromo-2-fluoro-4-methylbenzene;bis(1-bromo-2-methoxy-4-methylbenzene);(3-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)boronic acid;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;methanolate;6-(2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide is sourced from PubChem (CID 159622157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).