1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine

C10H12BrClN2 — CID 105289666

IUPAC1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2/c1-2-3-10(14-13)8-5-4-7(11)6-9(8)12/h2,4-6,10,14H,1,3,13H2
InChIKeyONSCFMTUJZUEBS-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine

1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine (PubChem CID 105289666) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
PubChem CID105289666
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2/c1-2-3-10(14-13)8-5-4-7(11)6-9(8)12/h2,4-6,10,14H,1,3,13H2
InChIKeyONSCFMTUJZUEBS-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-chlorophenyl)prop-2-enylhydrazine
CID 105318088
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
[1-(4-bromo-2-chlorophenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296864
[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985187
1-(3,5-dibromophenyl)but-3-enylhydrazine
CID 107978932
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
CID 175839042
1-(2-chlorofuran-3-yl)but-3-enylhydrazine
CID 106694221
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(2-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105215376
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
CID 175839043

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine (CID 105289666) is 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine is C=CCC(NN)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine?
The InChIKey is ONSCFMTUJZUEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c1-2-3-10(14-13)8-5-4-7(11)6-9(8)12/h2,4-6,10,14H,1,3,13H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine?
1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine has a molecular weight of 275.58 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine is sourced from PubChem (CID 105289666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).