4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol

C13H8ClF2N3O3 — CID 5091203

IUPAC4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2F)c1O
InChIInChI=1S/C13H8ClF2N3O3/c14-8-3-7(13(20)12(4-8)19(21)22)6-17-18-11-2-1-9(15)5-10(11)16/h1-6,18,20H
InChIKeyJCBWIWDWEKSBAZ-UHFFFAOYSA-N
MW327.67 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol

4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 5091203) has the molecular formula C13H8ClF2N3O3 and a molecular weight of 327.67 g/mol. Its IUPAC name is 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol
PubChem CID5091203
Molecular FormulaC13H8ClF2N3O3
Molecular Weight327.67 g/mol
Exact Mass327.02
IUPAC Name4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2F)c1O
InChIInChI=1S/C13H8ClF2N3O3/c14-8-3-7(13(20)12(4-8)19(21)22)6-17-18-11-2-1-9(15)5-10(11)16/h1-6,18,20H
InChIKeyJCBWIWDWEKSBAZ-UHFFFAOYSA-N
XLogP3.68
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.67
LogP ≤ 53.68
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 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]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-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol (CID 5091203) is 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2F)c1O.
What is the InChIKey of 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is JCBWIWDWEKSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O3/c14-8-3-7(13(20)12(4-8)19(21)22)6-17-18-11-2-1-9(15)5-10(11)16/h1-6,18,20H.
What are the key properties of 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 327.67 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 5091203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).