2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol

C14H10IN3O3 — CID 3094118

IUPAC2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(C=NN=Cc2cccc(I)c2)c1O
InChIInChI=1S/C14H10IN3O3/c15-12-5-1-3-10(7-12)8-16-17-9-11-4-2-6-13(14(11)19)18(20)21/h1-9,19H
InChIKeyMYZFOOXDMYGHCC-UHFFFAOYSA-N
MW395.16 g/mol
LogP3.36
Rot. Bonds4

About 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol

2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol (PubChem CID 3094118) has the molecular formula C14H10IN3O3 and a molecular weight of 395.16 g/mol. Its IUPAC name is 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol
PubChem CID3094118
Molecular FormulaC14H10IN3O3
Molecular Weight395.16 g/mol
Exact Mass394.98
IUPAC Name2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(C=NN=Cc2cccc(I)c2)c1O
InChIInChI=1S/C14H10IN3O3/c15-12-5-1-3-10(7-12)8-16-17-9-11-4-2-6-13(14(11)19)18(20)21/h1-9,19H
InChIKeyMYZFOOXDMYGHCC-UHFFFAOYSA-N
XLogP3.36
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 53.36
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': 'iodine', '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-(methyliminomethyl)-6-nitrophenol
CID 4779353
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
(4Z)-4-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(3-iodophenyl)-1,2-oxazol-5-one
CID 135688964
2-nitro-6-(propyliminomethyl)phenol
CID 136693324
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136732744
3,5-dibromo-4-hydroxy-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 137076595
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
3-fluoro-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 3759979
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol (CID 3094118) is 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol is O=[N+]([O-])c1cccc(C=NN=Cc2cccc(I)c2)c1O.
What is the InChIKey of 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is MYZFOOXDMYGHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O3/c15-12-5-1-3-10(7-12)8-16-17-9-11-4-2-6-13(14(11)19)18(20)21/h1-9,19H.
What are the key properties of 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol?
2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 395.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 3094118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).