2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol

C13H8I2N2O3 — CID 4080590

IUPAC2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1cc(I)c(O)c(/C=N/c2ccc(I)cc2)c1
InChIInChI=1S/C13H8I2N2O3/c14-9-1-3-10(4-2-9)16-7-8-5-11(17(19)20)6-12(15)13(8)18/h1-7,18H/b16-7+
InChIKeyWWQZRUUWPQMVJB-FRKPEAEDSA-N
MW494.03 g/mol
LogP4.26
Rot. Bonds3

About 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol

2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol (PubChem CID 4080590) has the molecular formula C13H8I2N2O3 and a molecular weight of 494.03 g/mol. Its IUPAC name is 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol
PubChem CID4080590
Molecular FormulaC13H8I2N2O3
Molecular Weight494.03 g/mol
Exact Mass493.86
IUPAC Name2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1cc(I)c(O)c(/C=N/c2ccc(I)cc2)c1
InChIInChI=1S/C13H8I2N2O3/c14-9-1-3-10(4-2-9)16-7-8-5-11(17(19)20)6-12(15)13(8)18/h1-7,18H/b16-7+
InChIKeyWWQZRUUWPQMVJB-FRKPEAEDSA-N
XLogP4.26
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.03
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
4-fluoro-N-[(2-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3401346
2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
CID 137138148
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
5-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3291118
N-[(Z)-(2-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 137155911
4-[(5-nitro-2-oxidophenyl)methylideneamino]benzoate
CID 6940189
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol (CID 4080590) is 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1cc(I)c(O)c(/C=N/c2ccc(I)cc2)c1.
What is the InChIKey of 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol?
The InChIKey is WWQZRUUWPQMVJB-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8I2N2O3/c14-9-1-3-10(4-2-9)16-7-8-5-11(17(19)20)6-12(15)13(8)18/h1-7,18H/b16-7+.
What are the key properties of 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol?
2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol has a molecular weight of 494.03 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 4080590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).