[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine

C16H20BrN3O — CID 105334826

IUPAC[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
SMILESCCCOc1cccc(C(Cc2cncc(Br)c2)NN)c1
InChIInChI=1S/C16H20BrN3O/c1-2-6-21-15-5-3-4-13(9-15)16(20-18)8-12-7-14(17)11-19-10-12/h3-5,7,9-11,16,20H,2,6,8,18H2,1H3
InChIKeyXLSDQWSBXIHBHJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.38
Rot. Bonds7

About [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine

[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine (PubChem CID 105334826) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
PubChem CID105334826
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
SMILESCCCOc1cccc(C(Cc2cncc(Br)c2)NN)c1
InChIInChI=1S/C16H20BrN3O/c1-2-6-21-15-5-3-4-13(9-15)16(20-18)8-12-7-14(17)11-19-10-12/h3-5,7,9-11,16,20H,2,6,8,18H2,1H3
InChIKeyXLSDQWSBXIHBHJ-UHFFFAOYSA-N
XLogP3.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105310368
[2-(4-bromothiophen-2-yl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105299378
[2-phenyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105195381
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046
[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817
[2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethyl]hydrazine
CID 105221823
[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105334802
2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
CID 104800998
[2-propan-2-yloxy-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105323803
[1-(5-bromofuran-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334847
[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
CID 105212897
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine (CID 105334826) is [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine is CCCOc1cccc(C(Cc2cncc(Br)c2)NN)c1.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
The InChIKey is XLSDQWSBXIHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-2-6-21-15-5-3-4-13(9-15)16(20-18)8-12-7-14(17)11-19-10-12/h3-5,7,9-11,16,20H,2,6,8,18H2,1H3.
What are the key properties of [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine has a molecular weight of 350.26 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105334826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).