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

C13H8Cl2N4O5 — CID 5173716

IUPAC2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl2N4O5/c14-8-3-7(13(20)10(15)4-8)6-16-17-11-2-1-9(18(21)22)5-12(11)19(23)24/h1-6,17,20H
InChIKeyVTUDBXVAACAAKF-UHFFFAOYSA-N
MW371.14 g/mol
LogP3.96
Rot. Bonds5

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

2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 5173716) has the molecular formula C13H8Cl2N4O5 and a molecular weight of 371.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID5173716
Molecular FormulaC13H8Cl2N4O5
Molecular Weight371.14 g/mol
Exact Mass369.99
IUPAC Name2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl2N4O5/c14-8-3-7(13(20)10(15)4-8)6-16-17-11-2-1-9(18(21)22)5-12(11)19(23)24/h1-6,17,20H
InChIKeyVTUDBXVAACAAKF-UHFFFAOYSA-N
XLogP3.96
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.14
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
CID 136678563
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 137118534
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
2,4-dichloro-6-[(E)-[[5-(4-nitrophenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135588478
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
2-bromo-6-[(E)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135615412

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (CID 5173716) is 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1.
What is the InChIKey of 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is VTUDBXVAACAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O5/c14-8-3-7(13(20)10(15)4-8)6-16-17-11-2-1-9(18(21)22)5-12(11)19(23)24/h1-6,17,20H.
What are the key properties of 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 371.14 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5173716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).