5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)

C62H37Br2Cl5F10N12 — CID 159792487

About 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)

5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine) (PubChem CID 159792487) has the molecular formula C62H37Br2Cl5F10N12 and a molecular weight of 1477.11 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine).

Molecular Properties

• Compound Name: 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)
• PubChem CID: 159792487
• Molecular Formula: C62H37Br2Cl5F10N12
• Molecular Weight: 1477.11 g/mol
• Exact Mass: 1471.99
• IUPAC Name: 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)
• SMILES: Cc1cc(Br)cnc1Cl.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Fc1cccc(Cl)c1-c1cc2cc(Br)cnc2[nH]1.N#Cc1c(F)cccc1Cl
• InChI: InChI=1S/2C18H11ClF4N4.C13H7BrClFN2.C7H3ClFN.C6H5BrClN/c2*1-27-14(7-15(26-27)18(21,22)23)10-5-9-6-13(25-17(9)24-8-10)16-11(19)3-2-4-12(16)20;14-8-4-7-5-11(18-13(7)17-6-8)12-9(15)2-1-3-10(12)16;8-6-2-1-3-7(9)5(6)4-10;1-4-2-5(7)3-9-6(4)8/h2*2-8H,1H3,(H,24,25);1-6H,(H,17,18);1-3H;2-3H,1H3
• InChIKey: NISVEXIVBYQXJV-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 158.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1477.11
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)?

The IUPAC name of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine) (CID 159792487) is 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine).

What is the SMILES notation for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)?

The canonical SMILES for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine) is Cc1cc(Br)cnc1Cl.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Fc1cccc(Cl)c1-c1cc2cc(Br)cnc2[nH]1.N#Cc1c(F)cccc1Cl.

What is the InChIKey of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)?

The InChIKey is NISVEXIVBYQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11ClF4N4.C13H7BrClFN2.C7H3ClFN.C6H5BrClN/c2*1-27-14(7-15(26-27)18(21,22)23)10-5-9-6-13(25-17(9)24-8-10)16-11(19)3-2-4-12(16)20;14-8-4-7-5-11(18-13(7)17-6-8)12-9(15)2-1-3-10(12)16;8-6-2-1-3-7(9)5(6)4-10;1-4-2-5(7)3-9-6(4)8/h2*2-8H,1H3,(H,24,25);1-6H,(H,17,18);1-3H;2-3H,1H3.

What are the key properties of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)?

5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine) has a molecular weight of 1477.11 g/mol, XLogP of 20.83, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 159792487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).