[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine

C11H9BrFIN2S — CID 106649932

IUPAC[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1csc(I)c1)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFIN2S/c12-8-3-1-2-7(10(8)13)11(16-15)6-4-9(14)17-5-6/h1-5,11,16H,15H2
InChIKeySPYAHHTYXSUBTF-UHFFFAOYSA-N
MW427.08 g/mol
LogP3.81
Rot. Bonds3

About [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine

[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine (PubChem CID 106649932) has the molecular formula C11H9BrFIN2S and a molecular weight of 427.08 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
PubChem CID106649932
Molecular FormulaC11H9BrFIN2S
Molecular Weight427.08 g/mol
Exact Mass425.87
IUPAC Name[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1csc(I)c1)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFIN2S/c12-8-3-1-2-7(10(8)13)11(16-15)6-4-9(14)17-5-6/h1-5,11,16H,15H2
InChIKeySPYAHHTYXSUBTF-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.08
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

[(2,3-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105309400
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105329391
[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
[(3-bromo-2-fluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 106648585
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
[(3,5-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105301893
[(3-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 106648882
[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 106649323
[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284942
[(3-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106649927
[(3-bromo-2-fluorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 107954226

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine (CID 106649932) is [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine is NNC(c1csc(I)c1)c1cccc(Br)c1F.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
The InChIKey is SPYAHHTYXSUBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFIN2S/c12-8-3-1-2-7(10(8)13)11(16-15)6-4-9(14)17-5-6/h1-5,11,16H,15H2.
What are the key properties of [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine has a molecular weight of 427.08 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 106649932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).