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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one

C104H70Br10Cl2N14O16 — CID 162018597

IUPAC4-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCOc1cc(C=C2C(=O)Nc3cccnc32)cc(OC)c1OC.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=C1Nc2ncccc2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2ncccc2C1=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/2C17H16N2O4.C14H7Br2ClN2O2.C14H7Br2ClN2O.2C14H8Br2N2O2.C14H8Br2N2O/c1-21-13-8-10(9-14(22-2)16(13)23-3)7-11-15-12(19-17(11)20)5-4-6-18-15;1-21-13-8-10(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/h4-9H,1-3H3,(H,19,20);4-9H,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)
InChIKeyYULIDAHUYNTIKA-UHFFFAOYSA-N
MW2641.73 g/mol
LogP26.12
Rot. Bonds13

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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 162018597) has the molecular formula C104H70Br10Cl2N14O16 and a molecular weight of 2641.73 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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name4-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID162018597
Molecular FormulaC104H70Br10Cl2N14O16
Molecular Weight2641.73 g/mol
Exact Mass2629.63
IUPAC Name4-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCOc1cc(C=C2C(=O)Nc3cccnc32)cc(OC)c1OC.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=C1Nc2ncccc2C1=Cc1cc(Br)c(O)c(Br)c1.O=C1Nc2ncccc2C1=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/2C17H16N2O4.C14H7Br2ClN2O2.C14H7Br2ClN2O.2C14H8Br2N2O2.C14H8Br2N2O/c1-21-13-8-10(9-14(22-2)16(13)23-3)7-11-15-12(19-17(11)20)5-4-6-18-15;1-21-13-8-10(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/h4-9H,1-3H3,(H,19,20);4-9H,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)
InChIKeyYULIDAHUYNTIKA-UHFFFAOYSA-N
XLogP26.12
TPSA410.00 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002641.73
LogP ≤ 526.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one (CID 162018597) 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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one is COc1cc(C=C2C(=O)Nc3cccnc32)cc(OC)c1OC.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=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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is YULIDAHUYNTIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N2O4.C14H7Br2ClN2O2.C14H7Br2ClN2O.2C14H8Br2N2O2.C14H8Br2N2O/c1-21-13-8-10(9-14(22-2)16(13)23-3)7-11-15-12(19-17(11)20)5-4-6-18-15;1-21-13-8-10(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/h4-9H,1-3H3,(H,19,20);4-9H,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).
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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 2641.73 g/mol, XLogP of 26.12, 13 rotatable bonds, 10 hydrogen bond donors, and 23 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;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 162018597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).