4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

C99H63Br10Cl2N15O13 — CID 158843885

About 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 158843885) has the molecular formula C99H63Br10Cl2N15O13 and a molecular weight of 2540.63 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

• Compound Name: 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
• PubChem CID: 158843885
• Molecular Formula: C99H63Br10Cl2N15O13
• Molecular Weight: 2540.63 g/mol
• Exact Mass: 2528.59
• IUPAC Name: 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
• SMILES: COc1cc(C=C2C(=O)Nc3ncccc32)cc(OC)c1OC.O=C1Nc2cccnc2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2nccc(Cl)c2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2nccc(Cl)c2C1=Cc1cc(Br)cc(Br)c1.O=C1Nc2ncccc2/C1=C/c1ccc[nH]1.O=C1Nc2ncccc2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2ncccc2C1=Cc1cc(Br)cc(Br)c1
• InChI: InChI=1S/C17H16N2O4.C14H7Br2ClN2O2.C14H7Br2ClN2O.2C14H8Br2N2O2.C14H8Br2N2O.C12H9N3O/c1-21-13-8-10(9-14(22-2)15(13)23-3)7-12-11-5-4-6-18-16(11)19-17(12)20;15-8-4-6(5-9(16)12(8)20)3-7-11-10(17)1-2-18-13(11)19-14(7)21;15-8-3-7(4-9(16)6-8)5-10-12-11(17)1-2-18-13(12)19-14(10)20;15-9-5-7(6-10(16)13(9)19)4-8-12-11(18-14(8)20)2-1-3-17-12;15-10-5-7(6-11(16)12(10)19)4-9-8-2-1-3-17-13(8)18-14(9)20;15-9-4-8(5-10(16)7-9)6-12-11-2-1-3-17-13(11)18-14(12)19;16-12-10(7-8-3-1-5-13-8)9-4-2-6-14-11(9)15-12/h4-9H,1-3H3,(H,18,19,20);1-5,20H,(H,18,19,21);1-6H,(H,18,19,20);1-6,19H,(H,18,20);1-6,19H,(H,17,18,20);1-7H,(H,17,18,19);1-7,13H,(H,14,15,16)/b;;;;;;10-7-
• InChIKey: IYOWOXGDKGVAQN-QMVQNJFMSA-N
• XLogP: 25.42
• TPSA: 398.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.63
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

The IUPAC name of 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (CID 158843885) is 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

What is the SMILES notation for 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

The canonical SMILES for 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is COc1cc(C=C2C(=O)Nc3ncccc32)cc(OC)c1OC.O=C1Nc2cccnc2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2nccc(Cl)c2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2nccc(Cl)c2C1=Cc1cc(Br)cc(Br)c1.O=C1Nc2ncccc2/C1=C/c1ccc[nH]1.O=C1Nc2ncccc2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2ncccc2C1=Cc1cc(Br)cc(Br)c1.

What is the InChIKey of 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

The InChIKey is IYOWOXGDKGVAQN-QMVQNJFMSA-N. The full InChI is InChI=1S/C17H16N2O4.C14H7Br2ClN2O2.C14H7Br2ClN2O.2C14H8Br2N2O2.C14H8Br2N2O.C12H9N3O/c1-21-13-8-10(9-14(22-2)15(13)23-3)7-12-11-5-4-6-18-16(11)19-17(12)20;15-8-4-6(5-9(16)12(8)20)3-7-11-10(17)1-2-18-13(11)19-14(7)21;15-8-3-7(4-9(16)6-8)5-10-12-11(17)1-2-18-13(12)19-14(10)20;15-9-5-7(6-10(16)13(9)19)4-8-12-11(18-14(8)20)2-1-3-17-12;15-10-5-7(6-11(16)12(10)19)4-9-8-2-1-3-17-13(8)18-14(9)20;15-9-4-8(5-10(16)7-9)6-12-11-2-1-3-17-13(11)18-14(12)19;16-12-10(7-8-3-1-5-13-8)9-4-2-6-14-11(9)15-12/h4-9H,1-3H3,(H,18,19,20);1-5,20H,(H,18,19,21);1-6H,(H,18,19,20);1-6,19H,(H,18,20);1-6,19H,(H,17,18,20);1-7H,(H,17,18,19);1-7,13H,(H,14,15,16)/b;;;;;;10-7-.

What are the key properties of 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?

4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 2540.63 g/mol, XLogP of 25.42, 10 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 158843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).