2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone

C105H88BrIN12O7 — CID 161157511

About 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone

2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone (PubChem CID 161157511) has the molecular formula C105H88BrIN12O7 and a molecular weight of 1836.74 g/mol. Its IUPAC name is 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone.

Molecular Properties

• Compound Name: 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone
• PubChem CID: 161157511
• Molecular Formula: C105H88BrIN12O7
• Molecular Weight: 1836.74 g/mol
• Exact Mass: 1834.51
• IUPAC Name: 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone
• SMILES: BrC(c1ccccc1)c1ccccn1.COC(=O)c1ccc(-c2cn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)cnc23)cc1.COC(c1ccccc1)c1ccccn1.Cc1noc(C)c1-c1cnc2c(I)cn(C(c3ccccc3)c3ccccn3)c2c1.O=C(c1ccccc1)c1ccccn1.OC(c1ccccc1)c1ccccn1
• InChI: InChI=1S/C32H26N4O3.C24H19IN4O.C13H13NO.C12H10BrN.C12H11NO.C12H9NO/c1-20-29(21(2)39-35-20)25-17-28-30(34-18-25)26(22-12-14-24(15-13-22)32(37)38-3)19-36(28)31(23-9-5-4-6-10-23)27-11-7-8-16-33-27;1-15-22(16(2)30-28-15)18-12-21-23(27-13-18)19(25)14-29(21)24(17-8-4-3-5-9-17)20-10-6-7-11-26-20;1-15-13(11-7-3-2-4-8-11)12-9-5-6-10-14-12;13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;2*14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h4-19,31H,1-3H3;3-14,24H,1-2H3;2-10,13H,1H3;1-9,12H;1-9,12,14H;1-9H
• InChIKey: UPMJIJBGPQDNET-UHFFFAOYSA-N
• XLogP: 23.60
• TPSA: 237.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1836.74
LogP ≤ 5	23.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?

The IUPAC name of 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone (CID 161157511) is 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone.

What is the SMILES notation for 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?

The canonical SMILES for 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone is BrC(c1ccccc1)c1ccccn1.COC(=O)c1ccc(-c2cn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)cnc23)cc1.COC(c1ccccc1)c1ccccn1.Cc1noc(C)c1-c1cnc2c(I)cn(C(c3ccccc3)c3ccccn3)c2c1.O=C(c1ccccc1)c1ccccn1.OC(c1ccccc1)c1ccccn1.

What is the InChIKey of 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?

The InChIKey is UPMJIJBGPQDNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3.C24H19IN4O.C13H13NO.C12H10BrN.C12H11NO.C12H9NO/c1-20-29(21(2)39-35-20)25-17-28-30(34-18-25)26(22-12-14-24(15-13-22)32(37)38-3)19-36(28)31(23-9-5-4-6-10-23)27-11-7-8-16-33-27;1-15-22(16(2)30-28-15)18-12-21-23(27-13-18)19(25)14-29(21)24(17-8-4-3-5-9-17)20-10-6-7-11-26-20;1-15-13(11-7-3-2-4-8-11)12-9-5-6-10-14-12;13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;2*14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h4-19,31H,1-3H3;3-14,24H,1-2H3;2-10,13H,1H3;1-9,12H;1-9,12,14H;1-9H.

What are the key properties of 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone?

2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone has a molecular weight of 1836.74 g/mol, XLogP of 23.60, 19 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone is sourced from PubChem (CID 161157511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).