1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine

C12H14BrClN2 — CID 105335018

IUPAC1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H14BrClN2/c1-2-3-4-5-12(16-15)9-6-7-10(13)11(14)8-9/h6-8,12,16H,4-5,15H2,1H3
InChIKeyNRCRHDZERWIUFJ-UHFFFAOYSA-N
MW301.62 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine

1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine (PubChem CID 105335018) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
PubChem CID105335018
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H14BrClN2/c1-2-3-4-5-12(16-15)9-6-7-10(13)11(14)8-9/h6-8,12,16H,4-5,15H2,1H3
InChIKeyNRCRHDZERWIUFJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 53.41
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-bromo-3-methylphenyl)hex-4-ynylhydrazine
CID 105334894
1-(4-bromo-3-chlorophenyl)undecylhydrazine
CID 105298371
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
[1-(4-bromo-3-chlorophenyl)-2-methoxyethyl]hydrazine
CID 105321658
[1-(4-bromo-3-chlorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105315140
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
CID 105257080
1-(2-bromo-5-methylphenyl)hex-4-ynylhydrazine
CID 105335090
[1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287745
[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340362
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine (CID 105335018) is 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine?
The InChIKey is NRCRHDZERWIUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-2-3-4-5-12(16-15)9-6-7-10(13)11(14)8-9/h6-8,12,16H,4-5,15H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine?
1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine has a molecular weight of 301.62 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105335018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).