2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol

C13H8Br2ClNO — CID 1286578

IUPAC2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C13H8Br2ClNO/c14-9-4-8(13(18)12(15)5-9)7-17-11-3-1-2-10(16)6-11/h1-7,18H/b17-7+
InChIKeyJQFSZZUUNNLMGB-REZTVBANSA-N
MW389.47 g/mol
LogP5.32
Rot. Bonds2

About 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol

2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol (PubChem CID 1286578) has the molecular formula C13H8Br2ClNO and a molecular weight of 389.47 g/mol. Its IUPAC name is 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol
PubChem CID1286578
Molecular FormulaC13H8Br2ClNO
Molecular Weight389.47 g/mol
Exact Mass386.87
IUPAC Name2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C13H8Br2ClNO/c14-9-4-8(13(18)12(15)5-9)7-17-11-3-1-2-10(16)6-11/h1-7,18H/b17-7+
InChIKeyJQFSZZUUNNLMGB-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 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol (CID 1286578) is 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1.
What is the InChIKey of 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol?
The InChIKey is JQFSZZUUNNLMGB-REZTVBANSA-N. The full InChI is InChI=1S/C13H8Br2ClNO/c14-9-4-8(13(18)12(15)5-9)7-17-11-3-1-2-10(16)6-11/h1-7,18H/b17-7+.
What are the key properties of 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol?
2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol 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 2,4-dibromo-6-[(3-chlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 1286578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).