[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine

C15H12BrFN2S — CID 106649802

IUPAC[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(Br)c1F)c1csc2ccccc12
InChIInChI=1S/C15H12BrFN2S/c16-12-6-3-5-10(14(12)17)15(19-18)11-8-20-13-7-2-1-4-9(11)13/h1-8,15,19H,18H2
InChIKeyQCPXIIWHZOWMHJ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.36
Rot. Bonds3

About [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine

[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine (PubChem CID 106649802) has the molecular formula C15H12BrFN2S and a molecular weight of 351.24 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
PubChem CID106649802
Molecular FormulaC15H12BrFN2S
Molecular Weight351.24 g/mol
Exact Mass349.99
IUPAC Name[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(Br)c1F)c1csc2ccccc12
InChIInChI=1S/C15H12BrFN2S/c16-12-6-3-5-10(14(12)17)15(19-18)11-8-20-13-7-2-1-4-9(11)13/h1-8,15,19H,18H2
InChIKeyQCPXIIWHZOWMHJ-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765556
1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
CID 106644382
[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 106649323
[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 106649932
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105292167
[(3-bromo-2-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103876
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
[1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325318
[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397828

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine (CID 106649802) is [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine is NNC(c1cccc(Br)c1F)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine?
The InChIKey is QCPXIIWHZOWMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2S/c16-12-6-3-5-10(14(12)17)15(19-18)11-8-20-13-7-2-1-4-9(11)13/h1-8,15,19H,18H2.
What are the key properties of [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine?
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine has a molecular weight of 351.24 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 106649802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).