1-(2,4-dibromophenyl)pent-4-ynylhydrazine

C11H12Br2N2 — CID 107948243

IUPAC1-(2,4-dibromophenyl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2/c1-2-3-4-11(15-14)9-6-5-8(12)7-10(9)13/h1,5-7,11,15H,3-4,14H2
InChIKeyLPQKXJJNESUYLX-UHFFFAOYSA-N
MW332.04 g/mol
LogP3.13
Rot. Bonds4

About 1-(2,4-dibromophenyl)pent-4-ynylhydrazine

1-(2,4-dibromophenyl)pent-4-ynylhydrazine (PubChem CID 107948243) has the molecular formula C11H12Br2N2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)pent-4-ynylhydrazine
PubChem CID107948243
Molecular FormulaC11H12Br2N2
Molecular Weight332.04 g/mol
Exact Mass329.94
IUPAC Name1-(2,4-dibromophenyl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2/c1-2-3-4-11(15-14)9-6-5-8(12)7-10(9)13/h1,5-7,11,15H,3-4,14H2
InChIKeyLPQKXJJNESUYLX-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)hex-5-ynylhydrazine
CID 105333449
1-(2,4-dibromophenyl)pent-4-yn-1-amine
CID 107945868
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
CID 114193446
1-(2,5-dibromophenyl)-N-methylpent-4-yn-1-amine
CID 115859658
[1-(2,4-dibromophenyl)-2-phenylethyl]hydrazine
CID 107948002
[2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948009
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 107948596
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145
[1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107948008
[2-(4-bromo-2-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948139
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)pent-4-ynylhydrazine?
The IUPAC name of 1-(2,4-dibromophenyl)pent-4-ynylhydrazine (CID 107948243) is 1-(2,4-dibromophenyl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(2,4-dibromophenyl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(2,4-dibromophenyl)pent-4-ynylhydrazine is C#CCCC(NN)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)pent-4-ynylhydrazine?
The InChIKey is LPQKXJJNESUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2/c1-2-3-4-11(15-14)9-6-5-8(12)7-10(9)13/h1,5-7,11,15H,3-4,14H2.
What are the key properties of 1-(2,4-dibromophenyl)pent-4-ynylhydrazine?
1-(2,4-dibromophenyl)pent-4-ynylhydrazine has a molecular weight of 332.04 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)pent-4-ynylhydrazine is sourced from PubChem (CID 107948243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).