dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C12H9Cl4FeN3O — CID 135484778

IUPACdichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCl[Fe]Cl.Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O.2ClH.Fe/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11;;;/h1-7,18H,(H,15,17);2*1H;/q;;;+2/p-2/b16-7+;;;
InChIKeyKEJKGFHOVKEQDG-YLIUNBTRSA-L
MW408.88 g/mol
LogP4.92
Rot. Bonds3

About dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135484778) has the molecular formula C12H9Cl4FeN3O and a molecular weight of 408.88 g/mol. Its IUPAC name is dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Namedichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135484778
Molecular FormulaC12H9Cl4FeN3O
Molecular Weight408.88 g/mol
Exact Mass406.88
IUPAC Namedichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCl[Fe]Cl.Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O.2ClH.Fe/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11;;;/h1-7,18H,(H,15,17);2*1H;/q;;;+2/p-2/b16-7+;;;
InChIKeyKEJKGFHOVKEQDG-YLIUNBTRSA-L
XLogP4.92
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloro-6-[(pyridin-2-ylamino)methyl]phenol
CID 889392
4-Chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
Salicylaldehyde, 5-chloro-, (5-nitro-2-pyridyl)hydrazone
CID 135538372
2,4-dichloro-6-{(E)-[(5-methylpyridin-2-yl)imino]methyl}phenol
CID 914307
4-Hydroxybenzaldehyde (3,5-dichloropyridin-2-yl)hydrazone
CID 135580378
2-((5-Chloro-pyridin-2-ylimino)-methyl)-phenol
CID 321014
2-[[(5-Bromopyridin-2-yl)amino]methyl]-4,6-dichlorophenol
CID 661808
2,4-Dichloro-6-(((6-methylpyridin-2-yl)amino)methyl)phenol
CID 951458
2,4-dichloro-6-[(E)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135520629
2-[(E)-(2-pyridylhydrazono)methyl]phenol
CID 135439965
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
2,4-Dichloro-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 2803079

Frequently Asked Questions

What is the IUPAC name of dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135484778) is dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is Cl[Fe]Cl.Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccccn1.
What is the InChIKey of dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is KEJKGFHOVKEQDG-YLIUNBTRSA-L. The full InChI is InChI=1S/C12H9Cl2N3O.2ClH.Fe/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11;;;/h1-7,18H,(H,15,17);2*1H;/q;;;+2/p-2/b16-7+;;;.
What are the key properties of dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 408.88 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135484778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).