[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine

C12H12BrIN2O — CID 106859953

IUPAC[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1ccoc1Br
InChIInChI=1S/C12H12BrIN2O/c13-12-10(5-6-17-12)11(16-15)7-8-1-3-9(14)4-2-8/h1-6,11,16H,7,15H2
InChIKeyYPDOACNYKUFTCU-UHFFFAOYSA-N
MW407.05 g/mol
LogP3.39
Rot. Bonds4

About [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine

[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine (PubChem CID 106859953) has the molecular formula C12H12BrIN2O and a molecular weight of 407.05 g/mol. Its IUPAC name is [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine
PubChem CID106859953
Molecular FormulaC12H12BrIN2O
Molecular Weight407.05 g/mol
Exact Mass405.92
IUPAC Name[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1ccoc1Br
InChIInChI=1S/C12H12BrIN2O/c13-12-10(5-6-17-12)11(16-15)7-8-1-3-9(14)4-2-8/h1-6,11,16H,7,15H2
InChIKeyYPDOACNYKUFTCU-UHFFFAOYSA-N
XLogP3.39
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.05
LogP ≤ 53.39
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

[1-(furan-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105213543
[1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 106859708
[1-(4-bromophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105192389
[1-(2-bromo-4-chlorophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 107997066
[1-(5-bromo-2-chlorophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310253
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
[2-(4-ethylphenyl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105268909
[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 106694448
[1-(2-chlorofuran-3-yl)-2-phenylethyl]hydrazine
CID 106694144
[1-(2,5-dimethylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310282
[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197805
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine (CID 106859953) is [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)c1ccoc1Br.
What is the InChIKey of [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is YPDOACNYKUFTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrIN2O/c13-12-10(5-6-17-12)11(16-15)7-8-1-3-9(14)4-2-8/h1-6,11,16H,7,15H2.
What are the key properties of [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine?
[1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 407.05 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromofuran-3-yl)-2-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 106859953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).