[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine

C15H16BrIN2O — CID 105309446

IUPAC[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2cccc(I)c2)c1
InChIInChI=1S/C15H16BrIN2O/c1-20-13-5-6-14(16)11(8-13)9-15(19-18)10-3-2-4-12(17)7-10/h2-8,15,19H,9,18H2,1H3
InChIKeyDXBHNJRXFWBAGP-UHFFFAOYSA-N
MW447.11 g/mol
LogP3.81
Rot. Bonds5

About [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine

[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine (PubChem CID 105309446) has the molecular formula C15H16BrIN2O and a molecular weight of 447.11 g/mol. Its IUPAC name is [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
PubChem CID105309446
Molecular FormulaC15H16BrIN2O
Molecular Weight447.11 g/mol
Exact Mass445.95
IUPAC Name[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2cccc(I)c2)c1
InChIInChI=1S/C15H16BrIN2O/c1-20-13-5-6-14(16)11(8-13)9-15(19-18)10-3-2-4-12(17)7-10/h2-8,15,19H,9,18H2,1H3
InChIKeyDXBHNJRXFWBAGP-UHFFFAOYSA-N
XLogP3.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.11
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-bromophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105283862
[2-(2-bromo-5-methoxyphenyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105309449
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
[2-(2-bromo-5-methoxyphenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105221324
[2-(2-bromo-5-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251145
[2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105309443
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105309533
[2-(5-bromo-2-methoxyphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191716
[2-(2-bromo-3-fluorophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105327029
[2-(5-bromo-2-fluorophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105294855
[2-(4-bromophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105284349
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine (CID 105309446) is [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine is COc1ccc(Br)c(CC(NN)c2cccc(I)c2)c1.
What is the InChIKey of [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine?
The InChIKey is DXBHNJRXFWBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrIN2O/c1-20-13-5-6-14(16)11(8-13)9-15(19-18)10-3-2-4-12(17)7-10/h2-8,15,19H,9,18H2,1H3.
What are the key properties of [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine?
[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine has a molecular weight of 447.11 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 105309446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).