2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate

C13H9Br2N2O- — CID 102050277

IUPAC2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate
SMILESNc1ccc(Br)cc1/N=C/c1cc(Br)ccc1[O-]
InChIInChI=1S/C13H10Br2N2O/c14-9-2-4-13(18)8(5-9)7-17-12-6-10(15)1-3-11(12)16/h1-7,18H,16H2/p-1/b17-7+
InChIKeyBRMHXGLIYAUKOD-REZTVBANSA-M
MW369.04 g/mol
LogP3.62
Rot. Bonds2

About 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate

2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate (PubChem CID 102050277) has the molecular formula C13H9Br2N2O- and a molecular weight of 369.04 g/mol. Its IUPAC name is 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate.

Molecular Properties

Compound Name2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate
PubChem CID102050277
Molecular FormulaC13H9Br2N2O-
Molecular Weight369.04 g/mol
Exact Mass366.91
IUPAC Name2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate
SMILESNc1ccc(Br)cc1/N=C/c1cc(Br)ccc1[O-]
InChIInChI=1S/C13H10Br2N2O/c14-9-2-4-13(18)8(5-9)7-17-12-6-10(15)1-3-11(12)16/h1-7,18H,16H2/p-1/b17-7+
InChIKeyBRMHXGLIYAUKOD-REZTVBANSA-M
XLogP3.62
TPSA61.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.04
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate?
The IUPAC name of 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate (CID 102050277) is 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate.
What is the SMILES notation for 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate?
The canonical SMILES for 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate is Nc1ccc(Br)cc1/N=C/c1cc(Br)ccc1[O-].
What is the InChIKey of 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate?
The InChIKey is BRMHXGLIYAUKOD-REZTVBANSA-M. The full InChI is InChI=1S/C13H10Br2N2O/c14-9-2-4-13(18)8(5-9)7-17-12-6-10(15)1-3-11(12)16/h1-7,18H,16H2/p-1/b17-7+.
What are the key properties of 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate?
2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate has a molecular weight of 369.04 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromophenyl)iminomethyl]-4-bromophenolate is sourced from PubChem (CID 102050277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).