2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate

C15H11BrN3O4- — CID 7373526

IUPAC2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate
SMILESCc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2Br)c1[O-]
InChIInChI=1S/C15H12BrN3O4/c1-9-6-11(19(22)23)7-10(14(9)20)8-17-18-15(21)12-4-2-3-5-13(12)16/h2-8,20H,1H3,(H,18,21)/p-1/b17-8-
InChIKeyRQJCWZXRGRWQLB-IUXPMGMMSA-M
MW377.17 g/mol
LogP2.50
Rot. Bonds4

About 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate

2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate (PubChem CID 7373526) has the molecular formula C15H11BrN3O4- and a molecular weight of 377.17 g/mol. Its IUPAC name is 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate.

Molecular Properties

Compound Name2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate
PubChem CID7373526
Molecular FormulaC15H11BrN3O4-
Molecular Weight377.17 g/mol
Exact Mass375.99
IUPAC Name2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate
SMILESCc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2Br)c1[O-]
InChIInChI=1S/C15H12BrN3O4/c1-9-6-11(19(22)23)7-10(14(9)20)8-17-18-15(21)12-4-2-3-5-13(12)16/h2-8,20H,1H3,(H,18,21)/p-1/b17-8-
InChIKeyRQJCWZXRGRWQLB-IUXPMGMMSA-M
XLogP2.50
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate 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

2-bromo-N-[(Z)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]benzamide
CID 29147049
2-methyl-4-nitro-6-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenolate
CID 6968325
2-bromo-N-[(E)-[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]benzamide
CID 17245347
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135554747
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7308981
2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
CID 3594626
2-bromo-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6013567
2-bromo-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 5221526
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate?
The IUPAC name of 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate (CID 7373526) is 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate.
What is the SMILES notation for 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate?
The canonical SMILES for 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate is Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2Br)c1[O-].
What is the InChIKey of 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate?
The InChIKey is RQJCWZXRGRWQLB-IUXPMGMMSA-M. The full InChI is InChI=1S/C15H12BrN3O4/c1-9-6-11(19(22)23)7-10(14(9)20)8-17-18-15(21)12-4-2-3-5-13(12)16/h2-8,20H,1H3,(H,18,21)/p-1/b17-8-.
What are the key properties of 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate?
2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate has a molecular weight of 377.17 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate is sourced from PubChem (CID 7373526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).