N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine

C8H7BrINO2 — CID 57368892

IUPACN-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1c(I)cc(Br)cc1C=NO
InChIInChI=1S/C8H7BrINO2/c1-13-8-5(4-11-12)2-6(9)3-7(8)10/h2-4,12H,1H3
InChIKeyYHEIOFGADAMENB-UHFFFAOYSA-N
MW355.96 g/mol
LogP2.87
Rot. Bonds2

About N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine

N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 57368892) has the molecular formula C8H7BrINO2 and a molecular weight of 355.96 g/mol. Its IUPAC name is N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine
PubChem CID57368892
Molecular FormulaC8H7BrINO2
Molecular Weight355.96 g/mol
Exact Mass354.87
IUPAC NameN-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1c(I)cc(Br)cc1C=NO
InChIInChI=1S/C8H7BrINO2/c1-13-8-5(4-11-12)2-6(9)3-7(8)10/h2-4,12H,1H3
InChIKeyYHEIOFGADAMENB-UHFFFAOYSA-N
XLogP2.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 52.87
H-Bond Donors ≤ 51
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

4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
1-[(5-bromo-3-iodo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630534
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
CID 75574757
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-[(5-bromo-3-iodo-2-propoxyphenyl)methylideneamino]guanidine
CID 168592012
N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22687784
N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20986539
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389
N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987045
[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea
CID 5433168
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine
CID 130681656

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine (CID 57368892) is N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine is COc1c(I)cc(Br)cc1C=NO.
What is the InChIKey of N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is YHEIOFGADAMENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO2/c1-13-8-5(4-11-12)2-6(9)3-7(8)10/h2-4,12H,1H3.
What are the key properties of N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine?
N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 355.96 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 57368892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).