2,4-dibromo-6-(ethyliminomethyl)phenol

C9H9Br2NO — CID 139079595

IUPAC2,4-dibromo-6-(ethyliminomethyl)phenol
SMILESCC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H9Br2NO/c1-2-12-5-6-3-7(10)4-8(11)9(6)13/h3-5,13H,2H2,1H3/b12-5+
InChIKeyFIXKVLHRRVKPDD-LFYBBSHMSA-N
MW306.99 g/mol
LogP3.36
Rot. Bonds2

About 2,4-dibromo-6-(ethyliminomethyl)phenol

2,4-dibromo-6-(ethyliminomethyl)phenol (PubChem CID 139079595) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2,4-dibromo-6-(ethyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(ethyliminomethyl)phenol
PubChem CID139079595
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2,4-dibromo-6-(ethyliminomethyl)phenol
SMILESCC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H9Br2NO/c1-2-12-5-6-3-7(10)4-8(11)9(6)13/h3-5,13H,2H2,1H3/b12-5+
InChIKeyFIXKVLHRRVKPDD-LFYBBSHMSA-N
XLogP3.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
CID 135595356
(E)-4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethylamino]pent-3-en-2-one
CID 177490098
2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
CID 1355768
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol
CID 135730375
2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
CID 135598114
2,4-dibromo-6-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135759330
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
CID 136577523
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(ethyliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(ethyliminomethyl)phenol (CID 139079595) is 2,4-dibromo-6-(ethyliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(ethyliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(ethyliminomethyl)phenol is CC/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(ethyliminomethyl)phenol?
The InChIKey is FIXKVLHRRVKPDD-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-2-12-5-6-3-7(10)4-8(11)9(6)13/h3-5,13H,2H2,1H3/b12-5+.
What are the key properties of 2,4-dibromo-6-(ethyliminomethyl)phenol?
2,4-dibromo-6-(ethyliminomethyl)phenol has a molecular weight of 306.99 g/mol, XLogP of 3.36, 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-(ethyliminomethyl)phenol is sourced from PubChem (CID 139079595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).