4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol

C13H9Br2IN2O — CID 135533846

IUPAC4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
SMILESOc1c(I)cc(Br)cc1/C=N/Nc1cccc(Br)c1
InChIInChI=1S/C13H9Br2IN2O/c14-9-2-1-3-11(5-9)18-17-7-8-4-10(15)6-12(16)13(8)19/h1-7,18-19H/b17-7+
InChIKeyKLPXEIRYTBVRSW-REZTVBANSA-N
MW495.94 g/mol
LogP4.97
Rot. Bonds3

About 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol

4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol (PubChem CID 135533846) has the molecular formula C13H9Br2IN2O and a molecular weight of 495.94 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
PubChem CID135533846
Molecular FormulaC13H9Br2IN2O
Molecular Weight495.94 g/mol
Exact Mass493.81
IUPAC Name4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
SMILESOc1c(I)cc(Br)cc1/C=N/Nc1cccc(Br)c1
InChIInChI=1S/C13H9Br2IN2O/c14-9-2-1-3-11(5-9)18-17-7-8-4-10(15)6-12(16)13(8)19/h1-7,18-19H/b17-7+
InChIKeyKLPXEIRYTBVRSW-REZTVBANSA-N
XLogP4.97
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 135614343
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 137138183
1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915
2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136800236
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
CID 1378674
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135479570

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol?
The IUPAC name of 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol (CID 135533846) is 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol?
The canonical SMILES for 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol is Oc1c(I)cc(Br)cc1/C=N/Nc1cccc(Br)c1.
What is the InChIKey of 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol?
The InChIKey is KLPXEIRYTBVRSW-REZTVBANSA-N. The full InChI is InChI=1S/C13H9Br2IN2O/c14-9-2-1-3-11(5-9)18-17-7-8-4-10(15)6-12(16)13(8)19/h1-7,18-19H/b17-7+.
What are the key properties of 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol?
4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol has a molecular weight of 495.94 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol is sourced from PubChem (CID 135533846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).