2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol

C13H8Br2ClNO — CID 1377772

IUPAC2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/c1ccccc1Br
InChIInChI=1S/C13H8Br2ClNO/c14-10-3-1-2-4-12(10)17-7-8-5-9(16)6-11(15)13(8)18/h1-7,18H/b17-7+
InChIKeyDEBVWSPLNCZZIC-REZTVBANSA-N
MW389.47 g/mol
LogP5.32
Rot. Bonds2

About 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol

2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol (PubChem CID 1377772) has the molecular formula C13H8Br2ClNO and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol
PubChem CID1377772
Molecular FormulaC13H8Br2ClNO
Molecular Weight389.47 g/mol
Exact Mass386.87
IUPAC Name2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/c1ccccc1Br
InChIInChI=1S/C13H8Br2ClNO/c14-10-3-1-2-4-12(10)17-7-8-5-9(16)6-11(15)13(8)18/h1-7,18H/b17-7+
InChIKeyDEBVWSPLNCZZIC-REZTVBANSA-N
XLogP5.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
The IUPAC name of 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol (CID 1377772) is 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
The canonical SMILES for 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol is Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1Br.
What is the InChIKey of 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
The InChIKey is DEBVWSPLNCZZIC-REZTVBANSA-N. The full InChI is InChI=1S/C13H8Br2ClNO/c14-10-3-1-2-4-12(10)17-7-8-5-9(16)6-11(15)13(8)18/h1-7,18H/b17-7+.
What are the key properties of 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol has a molecular weight of 389.47 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-bromophenyl)iminomethyl]-4-chlorophenol is sourced from PubChem (CID 1377772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).