N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline

C13H10IN3O2 — CID 169383782

IUPACN-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(C=NNc2ccccc2)c1I
InChIInChI=1S/C13H10IN3O2/c14-13-10(5-4-8-12(13)17(18)19)9-15-16-11-6-2-1-3-7-11/h1-9,16H
InChIKeyYZMYZCHKXIIBNO-UHFFFAOYSA-N
MW367.15 g/mol
LogP3.65
Rot. Bonds4

About N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline

N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline (PubChem CID 169383782) has the molecular formula C13H10IN3O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
PubChem CID169383782
Molecular FormulaC13H10IN3O2
Molecular Weight367.15 g/mol
Exact Mass366.98
IUPAC NameN-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(C=NNc2ccccc2)c1I
InChIInChI=1S/C13H10IN3O2/c14-13-10(5-4-8-12(13)17(18)19)9-15-16-11-6-2-1-3-7-11/h1-9,16H
InChIKeyYZMYZCHKXIIBNO-UHFFFAOYSA-N
XLogP3.65
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.65
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-iodo-3-nitrophenyl)methylideneamino]urea
CID 168533662
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
CID 51138518
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 5122448
1-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-phenylurea
CID 137076602
4-N-[(E)-(2-nitrophenyl)methylideneamino]-1-N-[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 92534203
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline (CID 169383782) is N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline is O=[N+]([O-])c1cccc(C=NNc2ccccc2)c1I.
What is the InChIKey of N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline?
The InChIKey is YZMYZCHKXIIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O2/c14-13-10(5-4-8-12(13)17(18)19)9-15-16-11-6-2-1-3-7-11/h1-9,16H.
What are the key properties of N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline?
N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline has a molecular weight of 367.15 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 169383782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).