benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C102H106Br5F4N12O22P3 — CID 164988645

About benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 164988645) has the molecular formula C102H106Br5F4N12O22P3 and a molecular weight of 2420.47 g/mol. Its IUPAC name is benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• PubChem CID: 164988645
• Molecular Formula: C102H106Br5F4N12O22P3
• Molecular Weight: 2420.47 g/mol
• Exact Mass: 2414.26
• IUPAC Name: benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• SMILES: BrCc1ccccc1.CCOP(=O)(Cc1ccn2c(Br)c(C(=O)OCc3ccccc3)nc2c1)OCC.CCOP(=O)(OCC)C(F)(F)C1CCn2cc(C(=O)O)nc2C1.CCOP(=O)(OCC)C(F)(F)c1ccn2c(Br)c(C(=O)OCc3ccccc3)nc2c1.CO.Cc1ccn2cc(C(=O)O)nc2c1.Cc1ccn2cc(C(=O)OCc3ccccc3)nc2c1.O=C(OCc1ccccc1)c1nc2cc(CBr)ccn2c1Br
• InChI: InChI=1S/C20H20BrF2N2O5P.C20H22BrN2O5P.C16H12Br2N2O2.C16H14N2O2.C13H19F2N2O5P.C9H8N2O2.C7H7Br.CH4O/c1-3-29-31(27,30-4-2)20(22,23)15-10-11-25-16(12-15)24-17(18(25)21)19(26)28-13-14-8-6-5-7-9-14;1-3-27-29(25,28-4-2)14-16-10-11-23-17(12-16)22-18(19(23)21)20(24)26-13-15-8-6-5-7-9-15;17-9-12-6-7-20-13(8-12)19-14(15(20)18)16(21)22-10-11-4-2-1-3-5-11;1-12-7-8-18-10-14(17-15(18)9-12)16(19)20-11-13-5-3-2-4-6-13;1-3-21-23(20,22-4-2)13(14,15)9-5-6-17-8-10(12(18)19)16-11(17)7-9;1-6-2-3-11-5-7(9(12)13)10-8(11)4-6;8-6-7-4-2-1-3-5-7;1-2/h5-12H,3-4,13H2,1-2H3;5-12H,3-4,13-14H2,1-2H3;1-8H,9-10H2;2-10H,11H2,1H3;8-9H,3-7H2,1-2H3,(H,18,19);2-5H,1H3,(H,12,13);1-5H,6H2;2H,1H3
• InChIKey: GNLHPMHTNJIERM-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 410.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2420.47
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?

The IUPAC name of benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 164988645) is benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

What is the SMILES notation for benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?

The canonical SMILES for benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid is BrCc1ccccc1.CCOP(=O)(Cc1ccn2c(Br)c(C(=O)OCc3ccccc3)nc2c1)OCC.CCOP(=O)(OCC)C(F)(F)C1CCn2cc(C(=O)O)nc2C1.CCOP(=O)(OCC)C(F)(F)c1ccn2c(Br)c(C(=O)OCc3ccccc3)nc2c1.CO.Cc1ccn2cc(C(=O)O)nc2c1.Cc1ccn2cc(C(=O)OCc3ccccc3)nc2c1.O=C(OCc1ccccc1)c1nc2cc(CBr)ccn2c1Br.

What is the InChIKey of benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?

The InChIKey is GNLHPMHTNJIERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF2N2O5P.C20H22BrN2O5P.C16H12Br2N2O2.C16H14N2O2.C13H19F2N2O5P.C9H8N2O2.C7H7Br.CH4O/c1-3-29-31(27,30-4-2)20(22,23)15-10-11-25-16(12-15)24-17(18(25)21)19(26)28-13-14-8-6-5-7-9-14;1-3-27-29(25,28-4-2)14-16-10-11-23-17(12-16)22-18(19(23)21)20(24)26-13-15-8-6-5-7-9-15;17-9-12-6-7-20-13(8-12)19-14(15(20)18)16(21)22-10-11-4-2-1-3-5-11;1-12-7-8-18-10-14(17-15(18)9-12)16(19)20-11-13-5-3-2-4-6-13;1-3-21-23(20,22-4-2)13(14,15)9-5-6-17-8-10(12(18)19)16-11(17)7-9;1-6-2-3-11-5-7(9(12)13)10-8(11)4-6;8-6-7-4-2-1-3-5-7;1-2/h5-12H,3-4,13H2,1-2H3;5-12H,3-4,13-14H2,1-2H3;1-8H,9-10H2;2-10H,11H2,1H3;8-9H,3-7H2,1-2H3,(H,18,19);2-5H,1H3,(H,12,13);1-5H,6H2;2H,1H3.

What are the key properties of benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?

benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 2420.47 g/mol, XLogP of 24.87, 34 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-bromo-7-(bromomethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-[diethoxyphosphoryl(difluoro)methyl]imidazo[1,2-a]pyridine-2-carboxylate;benzyl 3-bromo-7-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridine-2-carboxylate;benzyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate;bromomethylbenzene;7-[diethoxyphosphoryl(difluoro)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;methanol;7-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 164988645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).