5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one

C16H9BrF2N4O4 — CID 172917695

IUPAC5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1=N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C16H9BrF2N4O4/c17-9-1-3-12-11(6-9)14(15(24)21-12)22-20-7-8-5-10(23(25)26)2-4-13(8)27-16(18)19/h1-7,16H,(H,21,22,24)/b20-7+
InChIKeyCHKNQBLRDMXISP-IFRROFPPSA-N
MW439.17 g/mol
LogP3.73
Rot. Bonds5

About 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one

5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 172917695) has the molecular formula C16H9BrF2N4O4 and a molecular weight of 439.17 g/mol. Its IUPAC name is 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID172917695
Molecular FormulaC16H9BrF2N4O4
Molecular Weight439.17 g/mol
Exact Mass437.98
IUPAC Name5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1=N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C16H9BrF2N4O4/c17-9-1-3-12-11(6-9)14(15(24)21-12)22-20-7-8-5-10(23(25)26)2-4-13(8)27-16(18)19/h1-7,16H,(H,21,22,24)/b20-7+
InChIKeyCHKNQBLRDMXISP-IFRROFPPSA-N
XLogP3.73
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-5-methyl-1H-indol-2-one
CID 135949779
(3Z)-3-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-5-methyl-1H-indol-2-one
CID 135722660
(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 136663417
(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135857822
(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135615422
2,4-dimethyl-5-[[(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 141183816
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
1-[2-(difluoromethoxy)-5-nitrophenyl]-N-pyridin-4-ylmethanimine
CID 21178302
1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2311769
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
CID 3325601
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one (CID 172917695) is 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1=N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F.
What is the InChIKey of 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is CHKNQBLRDMXISP-IFRROFPPSA-N. The full InChI is InChI=1S/C16H9BrF2N4O4/c17-9-1-3-12-11(6-9)14(15(24)21-12)22-20-7-8-5-10(23(25)26)2-4-13(8)27-16(18)19/h1-7,16H,(H,21,22,24)/b20-7+.
What are the key properties of 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one?
5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 439.17 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 172917695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).