3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

C92H66Br8Cl2N12O8 — CID 161081459

About 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 161081459) has the molecular formula C92H66Br8Cl2N12O8 and a molecular weight of 2177.75 g/mol. Its IUPAC name is 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
• PubChem CID: 161081459
• Molecular Formula: C92H66Br8Cl2N12O8
• Molecular Weight: 2177.75 g/mol
• Exact Mass: 2167.80
• IUPAC Name: 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
• SMILES: COc1cc(C=C2C(=O)Nc3ncccc32)cc(OC)c1C.Cc1c(Br)cc(C=C2C(=O)Nc3cccnc32)cc1Br.Cc1c(Br)cc(C=C2C(=O)Nc3nccc(Cl)c32)cc1Br.Cc1c(Br)cc(C=C2C(=O)Nc3ncccc32)cc1Br.Cc1cc(Br)cc(C=C2C(=O)Nc3nccc(Cl)c32)c1.Cc1cc(Br)cc(C=C2C(=O)Nc3ncccc32)c1
• InChI: InChI=1S/C17H16N2O3.C15H9Br2ClN2O.2C15H10Br2N2O.C15H10BrClN2O.C15H11BrN2O/c1-10-14(21-2)8-11(9-15(10)22-3)7-13-12-5-4-6-18-16(12)19-17(13)20;1-7-10(16)5-8(6-11(7)17)4-9-13-12(18)2-3-19-14(13)20-15(9)21;1-8-11(16)6-9(7-12(8)17)5-10-14-13(19-15(10)20)3-2-4-18-14;1-8-12(16)6-9(7-13(8)17)5-11-10-3-2-4-18-14(10)19-15(11)20;1-8-4-9(6-10(16)5-8)7-11-13-12(17)2-3-18-14(13)19-15(11)20;1-9-5-10(7-11(16)6-9)8-13-12-3-2-4-17-14(12)18-15(13)19/h4-9H,1-3H3,(H,18,19,20);2-6H,1H3,(H,19,20,21);2-7H,1H3,(H,19,20);2*2-7H,1H3,(H,18,19,20);2-8H,1H3,(H,17,18,19)
• InChIKey: UFYVQXCNJIDRKP-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 270.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2177.75
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

The IUPAC name of 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (CID 161081459) is 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

What is the SMILES notation for 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

The canonical SMILES for 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is COc1cc(C=C2C(=O)Nc3ncccc32)cc(OC)c1C.Cc1c(Br)cc(C=C2C(=O)Nc3cccnc32)cc1Br.Cc1c(Br)cc(C=C2C(=O)Nc3nccc(Cl)c32)cc1Br.Cc1c(Br)cc(C=C2C(=O)Nc3ncccc32)cc1Br.Cc1cc(Br)cc(C=C2C(=O)Nc3nccc(Cl)c32)c1.Cc1cc(Br)cc(C=C2C(=O)Nc3ncccc32)c1.

What is the InChIKey of 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

The InChIKey is UFYVQXCNJIDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.C15H9Br2ClN2O.2C15H10Br2N2O.C15H10BrClN2O.C15H11BrN2O/c1-10-14(21-2)8-11(9-15(10)22-3)7-13-12-5-4-6-18-16(12)19-17(13)20;1-7-10(16)5-8(6-11(7)17)4-9-13-12(18)2-3-19-14(13)20-15(9)21;1-8-11(16)6-9(7-12(8)17)5-10-14-13(19-15(10)20)3-2-4-18-14;1-8-12(16)6-9(7-13(8)17)5-11-10-3-2-4-18-14(10)19-15(11)20;1-8-4-9(6-10(16)5-8)7-11-13-12(17)2-3-18-14(13)19-15(11)20;1-9-5-10(7-11(16)6-9)8-13-12-3-2-4-17-14(12)18-15(13)19/h4-9H,1-3H3,(H,18,19,20);2-6H,1H3,(H,19,20,21);2-7H,1H3,(H,19,20);2*2-7H,1H3,(H,18,19,20);2-8H,1H3,(H,17,18,19).

What are the key properties of 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 2177.75 g/mol, XLogP of 24.72, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-bromo-5-methylphenyl)methylidene]-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3-bromo-5-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 161081459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).