4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol

C12H7Br2ClN2O — CID 135607351

IUPAC4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ncc(Cl)cc1Br
InChIInChI=1S/C12H7Br2ClN2O/c13-8-1-2-11(18)7(3-8)5-16-12-10(14)4-9(15)6-17-12/h1-6,18H/b16-5+
InChIKeyWHYFIJNCHXDKEK-FZSIALSZSA-N
MW390.46 g/mol
LogP4.72
Rot. Bonds2

About 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol

4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol (PubChem CID 135607351) has the molecular formula C12H7Br2ClN2O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol
PubChem CID135607351
Molecular FormulaC12H7Br2ClN2O
Molecular Weight390.46 g/mol
Exact Mass387.86
IUPAC Name4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ncc(Cl)cc1Br
InChIInChI=1S/C12H7Br2ClN2O/c13-8-1-2-11(18)7(3-8)5-16-12-10(14)4-9(15)6-17-12/h1-6,18H/b16-5+
InChIKeyWHYFIJNCHXDKEK-FZSIALSZSA-N
XLogP4.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol (CID 135607351) is 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1ncc(Cl)cc1Br.
What is the InChIKey of 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol?
The InChIKey is WHYFIJNCHXDKEK-FZSIALSZSA-N. The full InChI is InChI=1S/C12H7Br2ClN2O/c13-8-1-2-11(18)7(3-8)5-16-12-10(14)4-9(15)6-17-12/h1-6,18H/b16-5+.
What are the key properties of 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol?
4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol has a molecular weight of 390.46 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 135607351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).