4-bromo-2-(hydroxyiminomethyl)-6-iodophenol

C7H5BrINO2 — CID 1494403

IUPAC4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
SMILESON=Cc1cc(Br)cc(I)c1O
InChIInChI=1S/C7H5BrINO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H
InChIKeyQRCWMEMNMWXAIC-UHFFFAOYSA-N
MW341.93 g/mol
LogP2.57
Rot. Bonds1

About 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol

4-bromo-2-(hydroxyiminomethyl)-6-iodophenol (PubChem CID 1494403) has the molecular formula C7H5BrINO2 and a molecular weight of 341.93 g/mol. Its IUPAC name is 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol.

Molecular Properties

Compound Name4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
PubChem CID1494403
Molecular FormulaC7H5BrINO2
Molecular Weight341.93 g/mol
Exact Mass340.85
IUPAC Name4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
SMILESON=Cc1cc(Br)cc(I)c1O
InChIInChI=1S/C7H5BrINO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H
InChIKeyQRCWMEMNMWXAIC-UHFFFAOYSA-N
XLogP2.57
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine
CID 57368892
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
CID 135533846
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol
CID 137126547
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
CID 137173116
4-[(2E)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 135614343
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389
2-(hydroxyiminomethyl)-6-iodophenol
CID 136960294
2-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-nitroguanidine
CID 137088956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol?
The IUPAC name of 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol (CID 1494403) is 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol.
What is the SMILES notation for 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol?
The canonical SMILES for 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol is ON=Cc1cc(Br)cc(I)c1O.
What is the InChIKey of 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol?
The InChIKey is QRCWMEMNMWXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrINO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H.
What are the key properties of 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol?
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol has a molecular weight of 341.93 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(hydroxyiminomethyl)-6-iodophenol is sourced from PubChem (CID 1494403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).