1-(4-bromophenyl)pent-3-ynylhydrazine

C11H13BrN2 — CID 105192351

IUPAC1-(4-bromophenyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2/c1-2-3-4-11(14-13)9-5-7-10(12)8-6-9/h5-8,11,14H,4,13H2,1H3
InChIKeyGMVQIPKGGYUYGK-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-bromophenyl)pent-3-ynylhydrazine

1-(4-bromophenyl)pent-3-ynylhydrazine (PubChem CID 105192351) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(4-bromophenyl)pent-3-ynylhydrazine
PubChem CID105192351
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(4-bromophenyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2/c1-2-3-4-11(14-13)9-5-7-10(12)8-6-9/h5-8,11,14H,4,13H2,1H3
InChIKeyGMVQIPKGGYUYGK-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.37
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-(4-ethoxyphenyl)pent-3-ynylhydrazine
CID 105290586
1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
CID 105290740
1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
CID 105257080
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
CID 105290659
1,2-bis(4-bromophenyl)ethylhydrazine
CID 105192515
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
CID 105334894
1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
CID 105195601
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
CID 105335018
[2-(4-bromophenyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105284436
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pent-3-ynylhydrazine?
The IUPAC name of 1-(4-bromophenyl)pent-3-ynylhydrazine (CID 105192351) is 1-(4-bromophenyl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(4-bromophenyl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(4-bromophenyl)pent-3-ynylhydrazine is CC#CCC(NN)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)pent-3-ynylhydrazine?
The InChIKey is GMVQIPKGGYUYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-2-3-4-11(14-13)9-5-7-10(12)8-6-9/h5-8,11,14H,4,13H2,1H3.
What are the key properties of 1-(4-bromophenyl)pent-3-ynylhydrazine?
1-(4-bromophenyl)pent-3-ynylhydrazine has a molecular weight of 253.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)pent-3-ynylhydrazine is sourced from PubChem (CID 105192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).