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

C13H9IN2O3 — CID 555080

IUPAC2-[(4-iodophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2)c1O
InChIInChI=1S/C13H9IN2O3/c14-10-4-6-11(7-5-10)15-8-9-2-1-3-12(13(9)17)16(18)19/h1-8,17H/b15-8+
InChIKeyMVGWZJYGXYMEQR-OVCLIPMQSA-N
MW368.13 g/mol
LogP3.66
Rot. Bonds3

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

2-[(4-iodophenyl)iminomethyl]-6-nitrophenol (PubChem CID 555080) has the molecular formula C13H9IN2O3 and a molecular weight of 368.13 g/mol. Its IUPAC name is 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(4-iodophenyl)iminomethyl]-6-nitrophenol
PubChem CID555080
Molecular FormulaC13H9IN2O3
Molecular Weight368.13 g/mol
Exact Mass367.97
IUPAC Name2-[(4-iodophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2)c1O
InChIInChI=1S/C13H9IN2O3/c14-10-4-6-11(7-5-10)15-8-9-2-1-3-12(13(9)17)16(18)19/h1-8,17H/b15-8+
InChIKeyMVGWZJYGXYMEQR-OVCLIPMQSA-N
XLogP3.66
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 53.66
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

N-salicylidene-o-aminophenol
CID 74479
2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Alpha-(3-nitrophenylimino)-ortho-cresol
CID 292413
2-[(Dimethylamino)methyl]-6-nitrophenol
CID 931564
2-(Benzylideneamino)phenol
CID 219809
Phenol, 2-[[(2-methylphenyl)imino]methyl]-4-nitro-
CID 765699
2-((4-Iodo-phenylimino)-methyl)-phenol
CID 271537
2-[[(3-Nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274053
2-[[3-(2-Nitrophenyl)prop-2-enylidenehydrazinylidene]methyl]phenol
CID 274055
(6E)-6-[(5-ethyl-2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 759207
2-{[(2-Hydroxy-5-methylphenyl)imino]methyl}-4-methylphenol
CID 831253

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol (CID 555080) is 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2)c1O.
What is the InChIKey of 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol?
The InChIKey is MVGWZJYGXYMEQR-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H9IN2O3/c14-10-4-6-11(7-5-10)15-8-9-2-1-3-12(13(9)17)16(18)19/h1-8,17H/b15-8+.
What are the key properties of 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol?
2-[(4-iodophenyl)iminomethyl]-6-nitrophenol has a molecular weight of 368.13 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 555080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).