3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid

C73H65BBrF8N9O11 — CID 161446894

About 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid

3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid (PubChem CID 161446894) has the molecular formula C73H65BBrF8N9O11 and a molecular weight of 1487.07 g/mol. Its IUPAC name is 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid.

Molecular Properties

• Compound Name: 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid
• PubChem CID: 161446894
• Molecular Formula: C73H65BBrF8N9O11
• Molecular Weight: 1487.07 g/mol
• Exact Mass: 1485.40
• IUPAC Name: 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid
• SMILES: CCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)O)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)cn2c1.O=c1cc(B(O)O)cc[nH]1
• InChI: InChI=1S/C19H18F2N2O3.C17H14F2N2O3.C16H13BrF2N2O.C16H14F2N2O.C5H6BNO3/c1-4-25-19(24)17-12(3)22-18-16(8-11(2)9-23(17)18)26-10-13-14(20)6-5-7-15(13)21;1-9-6-14(24-8-11-12(18)4-3-5-13(11)19)16-20-10(2)15(17(22)23)21(16)7-9;1-9-6-14(16-20-10(2)15(17)21(16)7-9)22-8-11-12(18)4-3-5-13(11)19;1-10-6-15(16-19-11(2)8-20(16)7-10)21-9-12-13(17)4-3-5-14(12)18;8-5-3-4(6(9)10)1-2-7-5/h5-9H,4,10H2,1-3H3;3-7H,8H2,1-2H3,(H,22,23);3-7H,8H2,1-2H3;3-8H,9H2,1-2H3;1-3,9-10H,(H,7,8)
• InChIKey: WAAAODRERQUNGT-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 243.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1487.07
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid?

The IUPAC name of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid (CID 161446894) is 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid.

What is the SMILES notation for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid?

The canonical SMILES for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid is CCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)O)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)cn2c1.O=c1cc(B(O)O)cc[nH]1.

What is the InChIKey of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid?

The InChIKey is WAAAODRERQUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3.C17H14F2N2O3.C16H13BrF2N2O.C16H14F2N2O.C5H6BNO3/c1-4-25-19(24)17-12(3)22-18-16(8-11(2)9-23(17)18)26-10-13-14(20)6-5-7-15(13)21;1-9-6-14(24-8-11-12(18)4-3-5-13(11)19)16-20-10(2)15(17(22)23)21(16)7-9;1-9-6-14(16-20-10(2)15(17)21(16)7-9)22-8-11-12(18)4-3-5-13(11)19;1-10-6-15(16-19-11(2)8-20(16)7-10)21-9-12-13(17)4-3-5-14(12)18;8-5-3-4(6(9)10)1-2-7-5/h5-9H,4,10H2,1-3H3;3-7H,8H2,1-2H3,(H,22,23);3-7H,8H2,1-2H3;3-8H,9H2,1-2H3;1-3,9-10H,(H,7,8).

What are the key properties of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid?

3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid has a molecular weight of 1487.07 g/mol, XLogP of 13.93, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;(2-oxo-1H-pyridin-4-yl)boronic acid is sourced from PubChem (CID 161446894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).