5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

C16H14Br2N2O2 — CID 3089504

IUPAC5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESOc1cc(Br)ccc1/C=N/CC/N=C/c1ccc(Br)cc1O
InChIInChI=1S/C16H14Br2N2O2/c17-13-3-1-11(15(21)7-13)9-19-5-6-20-10-12-2-4-14(18)8-16(12)22/h1-4,7-10,21-22H,5-6H2/b19-9+,20-10+
InChIKeyXMNJOSASQYBAHK-LQGKIZFRSA-N
MW426.11 g/mol
LogP4.16
Rot. Bonds5

About 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 3089504) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID3089504
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC Name5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESOc1cc(Br)ccc1/C=N/CC/N=C/c1ccc(Br)cc1O
InChIInChI=1S/C16H14Br2N2O2/c17-13-3-1-11(15(21)7-13)9-19-5-6-20-10-12-2-4-14(18)8-16(12)22/h1-4,7-10,21-22H,5-6H2/b19-9+,20-10+
InChIKeyXMNJOSASQYBAHK-LQGKIZFRSA-N
XLogP4.16
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
CID 5247870
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
3-hydroxy-4-[2-[(2-hydroxy-4-sulfophenyl)methylideneamino]ethyliminomethyl]benzenesulfonic acid
CID 135800105
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
[3-hydroxy-4-[2-[[2-hydroxy-4-(trimethylazaniumyl)phenyl]methylideneamino]ethyliminomethyl]phenyl]-trimethylazanium
CID 135421377
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135581379

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 3089504) is 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is Oc1cc(Br)ccc1/C=N/CC/N=C/c1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is XMNJOSASQYBAHK-LQGKIZFRSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c17-13-3-1-11(15(21)7-13)9-19-5-6-20-10-12-2-4-14(18)8-16(12)22/h1-4,7-10,21-22H,5-6H2/b19-9+,20-10+.
What are the key properties of 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 426.11 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 3089504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).