2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C13H9Cl2N3O3 — CID 135643124

IUPAC2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C13H9Cl2N3O3/c14-9-5-8(13(19)12(15)6-9)7-16-17-10-1-3-11(4-2-10)18(20)21/h1-7,17,19H/b16-7+
InChIKeyYVLXBPBNRXHJBN-FRKPEAEDSA-N
MW326.14 g/mol
LogP4.05
Rot. Bonds4

About 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135643124) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135643124
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C13H9Cl2N3O3/c14-9-5-8(13(19)12(15)6-9)7-16-17-10-1-3-11(4-2-10)18(20)21/h1-7,17,19H/b16-7+
InChIKeyYVLXBPBNRXHJBN-FRKPEAEDSA-N
XLogP4.05
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.05
H-Bond Donors ≤ 52
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 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol 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 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135643124) is 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is YVLXBPBNRXHJBN-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-9-5-8(13(19)12(15)6-9)7-16-17-10-1-3-11(4-2-10)18(20)21/h1-7,17,19H/b16-7+.
What are the key properties of 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 326.14 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135643124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).