N-[(2-bromo-6-iodophenyl)methylideneamino]aniline

C13H10BrIN2 — CID 169384067

IUPACN-[(2-bromo-6-iodophenyl)methylideneamino]aniline
SMILESBrc1cccc(I)c1C=NNc1ccccc1
InChIInChI=1S/C13H10BrIN2/c14-12-7-4-8-13(15)11(12)9-16-17-10-5-2-1-3-6-10/h1-9,17H
InChIKeyMGZVYSJKWQXUPR-UHFFFAOYSA-N
MW401.05 g/mol
LogP4.50
Rot. Bonds3

About N-[(2-bromo-6-iodophenyl)methylideneamino]aniline

N-[(2-bromo-6-iodophenyl)methylideneamino]aniline (PubChem CID 169384067) has the molecular formula C13H10BrIN2 and a molecular weight of 401.05 g/mol. Its IUPAC name is N-[(2-bromo-6-iodophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-bromo-6-iodophenyl)methylideneamino]aniline
PubChem CID169384067
Molecular FormulaC13H10BrIN2
Molecular Weight401.05 g/mol
Exact Mass399.91
IUPAC NameN-[(2-bromo-6-iodophenyl)methylideneamino]aniline
SMILESBrc1cccc(I)c1C=NNc1ccccc1
InChIInChI=1S/C13H10BrIN2/c14-12-7-4-8-13(15)11(12)9-16-17-10-5-2-1-3-6-10/h1-9,17H
InChIKeyMGZVYSJKWQXUPR-UHFFFAOYSA-N
XLogP4.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-iodo-6-methylphenyl)methylideneamino]aniline
CID 169384048
methyl 3-bromo-2-[(phenylhydrazinylidene)methyl]benzoate
CID 169384174
2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628267
2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
CID 169381666
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
CID 169383987
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-iodophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-bromo-6-iodophenyl)methylideneamino]aniline (CID 169384067) is N-[(2-bromo-6-iodophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-bromo-6-iodophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-bromo-6-iodophenyl)methylideneamino]aniline is Brc1cccc(I)c1C=NNc1ccccc1.
What is the InChIKey of N-[(2-bromo-6-iodophenyl)methylideneamino]aniline?
The InChIKey is MGZVYSJKWQXUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIN2/c14-12-7-4-8-13(15)11(12)9-16-17-10-5-2-1-3-6-10/h1-9,17H.
What are the key properties of N-[(2-bromo-6-iodophenyl)methylideneamino]aniline?
N-[(2-bromo-6-iodophenyl)methylideneamino]aniline has a molecular weight of 401.05 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-iodophenyl)methylideneamino]aniline is sourced from PubChem (CID 169384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).