1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine

C11H13BrN2O — CID 105281554

IUPAC1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cc(OC)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-3-4-11(14-13)9-7-8(15-2)5-6-10(9)12/h1,5-7,11,14H,4,13H2,2H3
InChIKeyCIOHDLQHCKCOCP-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine

1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine (PubChem CID 105281554) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
PubChem CID105281554
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cc(OC)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-3-4-11(14-13)9-7-8(15-2)5-6-10(9)12/h1,5-7,11,14H,4,13H2,2H3
InChIKeyCIOHDLQHCKCOCP-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-5-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 105077750
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682
[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315167
[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298218
[1-(2-bromo-5-methoxyphenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312937
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342752
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
CID 103845987
[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316196
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107895492
1-(4-bromo-3-methylphenyl)but-3-ynylhydrazine
CID 105281427
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine (CID 105281554) is 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine is C#CCC(NN)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine?
The InChIKey is CIOHDLQHCKCOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-3-4-11(14-13)9-7-8(15-2)5-6-10(9)12/h1,5-7,11,14H,4,13H2,2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine?
1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine has a molecular weight of 269.14 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine is sourced from PubChem (CID 105281554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).