(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one

C14H9BrN4O — CID 135857822

IUPAC(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/N=C\c1ccncc1
InChIInChI=1S/C14H9BrN4O/c15-10-1-2-12-11(7-10)13(14(20)18-12)19-17-8-9-3-5-16-6-4-9/h1-8H,(H,18,19,20)/b17-8-
InChIKeyVAHNSYCLWJIVTJ-IUXPMGMMSA-N
MW329.16 g/mol
LogP2.62
Rot. Bonds2

About (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one

(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135857822) has the molecular formula C14H9BrN4O and a molecular weight of 329.16 g/mol. Its IUPAC name is (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135857822
Molecular FormulaC14H9BrN4O
Molecular Weight329.16 g/mol
Exact Mass328.00
IUPAC Name(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/N=C\c1ccncc1
InChIInChI=1S/C14H9BrN4O/c15-10-1-2-12-11(7-10)13(14(20)18-12)19-17-8-9-3-5-16-6-4-9/h1-8H,(H,18,19,20)/b17-8-
InChIKeyVAHNSYCLWJIVTJ-IUXPMGMMSA-N
XLogP2.62
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one (CID 135857822) is (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/N=C\c1ccncc1.
What is the InChIKey of (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is VAHNSYCLWJIVTJ-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H9BrN4O/c15-10-1-2-12-11(7-10)13(14(20)18-12)19-17-8-9-3-5-16-6-4-9/h1-8H,(H,18,19,20)/b17-8-.
What are the key properties of (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 329.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135857822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).