1-(2,5-dibromophenyl)hex-5-ynylhydrazine

C12H14Br2N2 — CID 105333449

IUPAC1-(2,5-dibromophenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2N2/c1-2-3-4-5-12(16-15)10-8-9(13)6-7-11(10)14/h1,6-8,12,16H,3-5,15H2
InChIKeyGQSXZGFXNHLLNR-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.52
Rot. Bonds5

About 1-(2,5-dibromophenyl)hex-5-ynylhydrazine

1-(2,5-dibromophenyl)hex-5-ynylhydrazine (PubChem CID 105333449) has the molecular formula C12H14Br2N2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)hex-5-ynylhydrazine
PubChem CID105333449
Molecular FormulaC12H14Br2N2
Molecular Weight346.07 g/mol
Exact Mass343.95
IUPAC Name1-(2,5-dibromophenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2N2/c1-2-3-4-5-12(16-15)10-8-9(13)6-7-11(10)14/h1,6-8,12,16H,3-5,15H2
InChIKeyGQSXZGFXNHLLNR-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
1-(2,4-dibromophenyl)pent-4-ynylhydrazine
CID 107948243
1-(2,5-dibromophenyl)-N-methylpent-4-yn-1-amine
CID 115859658
1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 105033728
1-(4-bromo-2-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105033715
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
CID 105333345
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738
1-(2-methoxyphenyl)hex-5-ynylhydrazine
CID 105191170
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
CID 105333477
1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
CID 105333419
[1-(2,5-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283783

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(2,5-dibromophenyl)hex-5-ynylhydrazine (CID 105333449) is 1-(2,5-dibromophenyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(2,5-dibromophenyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(2,5-dibromophenyl)hex-5-ynylhydrazine is C#CCCCC(NN)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)hex-5-ynylhydrazine?
The InChIKey is GQSXZGFXNHLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2/c1-2-3-4-5-12(16-15)10-8-9(13)6-7-11(10)14/h1,6-8,12,16H,3-5,15H2.
What are the key properties of 1-(2,5-dibromophenyl)hex-5-ynylhydrazine?
1-(2,5-dibromophenyl)hex-5-ynylhydrazine has a molecular weight of 346.07 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).