2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol

C10H11Br2NO2 — CID 145079796

IUPAC2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol
SMILESC[C@H](CO)/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H11Br2NO2/c1-6(5-14)13-4-7-2-8(11)3-9(12)10(7)15/h2-4,6,14-15H,5H2,1H3/b13-4+/t6-/m1/s1
InChIKeyVGXBYFZPESHCCG-ATKUDTDSSA-N
MW337.01 g/mol
LogP2.72
Rot. Bonds3

About 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol

2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol (PubChem CID 145079796) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol
PubChem CID145079796
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol
SMILESC[C@H](CO)/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H11Br2NO2/c1-6(5-14)13-4-7-2-8(11)3-9(12)10(7)15/h2-4,6,14-15H,5H2,1H3/b13-4+/t6-/m1/s1
InChIKeyVGXBYFZPESHCCG-ATKUDTDSSA-N
XLogP2.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Transthyretin-IN-1
CID 154702622
4-Bromo-6-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
CID 781683
2-[(Benzylimino)methyl]-4,6-dibromobenzenol
CID 1241574
3,5-Dibromosalicylaldoxime
CID 548439
(1E)-3,5-dibromo-2-hydroxy-benzaldehyde hydrazone
CID 135839550
3,5-Dibromo-4-hydroxy-benzaldehyde O-methyl-oxime
CID 136110929
CID 4849185
CID 4849185
2,4-Dibromo-6-(2-methoxyethyliminomethyl)phenol
CID 4850802
3,5-Dibromo-2-hydroxybenzaldehyde oxime
CID 135620029
4-Bromo-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one
CID 300886
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
4-Bromo-2-[(tert-butylimino)methyl]phenol
CID 681182

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol (CID 145079796) is 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol is C[C@H](CO)/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol?
The InChIKey is VGXBYFZPESHCCG-ATKUDTDSSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-6(5-14)13-4-7-2-8(11)3-9(12)10(7)15/h2-4,6,14-15H,5H2,1H3/b13-4+/t6-/m1/s1.
What are the key properties of 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol?
2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol has a molecular weight of 337.01 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[(2R)-1-hydroxypropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 145079796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).