3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine

C95H67ClF3N11O — CID 158136856

About 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine

3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158136856) has the molecular formula C95H67ClF3N11O and a molecular weight of 1471.10 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158136856
• Molecular Formula: C95H67ClF3N11O
• Molecular Weight: 1471.10 g/mol
• Exact Mass: 1469.52
• IUPAC Name: 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3ccccc3)cc12.Clc1ncccc1-c1c[nH]c2ncc(-c3ccccc3)cc12.Fc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.Fc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1.Fc1ccccc1-c1c[nH]c2ncc(-c3ccccc3)cc12
• InChI: InChI=1S/C20H16N2O.3C19H13FN2.C18H12ClN3/c1-23-19-10-6-5-9-16(19)18-13-22-20-17(18)11-15(12-21-20)14-7-3-2-4-8-14;20-18-9-5-4-8-15(18)17-12-22-19-16(17)10-14(11-21-19)13-6-2-1-3-7-13;20-16-8-4-7-14(9-16)18-12-22-19-17(18)10-15(11-21-19)13-5-2-1-3-6-13;20-16-8-6-14(7-9-16)18-12-22-19-17(18)10-15(11-21-19)13-4-2-1-3-5-13;19-17-14(7-4-8-20-17)16-11-22-18-15(16)9-13(10-21-18)12-5-2-1-3-6-12/h2-13H,1H3,(H,21,22);3*1-12H,(H,21,22);1-11H,(H,21,22)
• InChIKey: FTLGZIYWUGDBPT-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 165.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1471.10
LogP ≤ 5	24.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 158136856) is 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(-c3ccccc3)cc12.Clc1ncccc1-c1c[nH]c2ncc(-c3ccccc3)cc12.Fc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.Fc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1.Fc1ccccc1-c1c[nH]c2ncc(-c3ccccc3)cc12.

What is the InChIKey of 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is FTLGZIYWUGDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O.3C19H13FN2.C18H12ClN3/c1-23-19-10-6-5-9-16(19)18-13-22-20-17(18)11-15(12-21-20)14-7-3-2-4-8-14;20-18-9-5-4-8-15(18)17-12-22-19-16(17)10-14(11-21-19)13-6-2-1-3-7-13;20-16-8-4-7-14(9-16)18-12-22-19-17(18)10-15(11-21-19)13-5-2-1-3-6-13;20-16-8-6-14(7-9-16)18-12-22-19-17(18)10-15(11-21-19)13-4-2-1-3-5-13;19-17-14(7-4-8-20-17)16-11-22-18-15(16)9-13(10-21-18)12-5-2-1-3-6-12/h2-13H,1H3,(H,21,22);3*1-12H,(H,21,22);1-11H,(H,21,22).

What are the key properties of 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?

3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1471.10 g/mol, XLogP of 24.96, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-3-pyridinyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158136856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).