4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol

C9H10ClN3O3 — CID 135401304

IUPAC4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol
SMILESCN(C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10ClN3O3/c1-12(2)11-5-6-3-7(10)4-8(9(6)14)13(15)16/h3-5,14H,1-2H3/b11-5+
InChIKeyFFXBEWGMIYXZCO-VZUCSPMQSA-N
MW243.65 g/mol
LogP1.85
Rot. Bonds3

About 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol

4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol (PubChem CID 135401304) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol
PubChem CID135401304
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol
SMILESCN(C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10ClN3O3/c1-12(2)11-5-6-3-7(10)4-8(9(6)14)13(15)16/h3-5,14H,1-2H3/b11-5+
InChIKeyFFXBEWGMIYXZCO-VZUCSPMQSA-N
XLogP1.85
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol (CID 135401304) is 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol is CN(C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol?
The InChIKey is FFXBEWGMIYXZCO-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-12(2)11-5-6-3-7(10)4-8(9(6)14)13(15)16/h3-5,14H,1-2H3/b11-5+.
What are the key properties of 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol?
4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol has a molecular weight of 243.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol is sourced from PubChem (CID 135401304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).