[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine

C13H18BrN3O — CID 105221501

IUPAC[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cncc(Br)c1)C1CC2CCC1O2
InChIInChI=1S/C13H18BrN3O/c14-9-3-8(6-16-7-9)4-12(17-15)11-5-10-1-2-13(11)18-10/h3,6-7,10-13,17H,1-2,4-5,15H2
InChIKeyHENPSWMCYZZCFD-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.79
Rot. Bonds4

About [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine

[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine (PubChem CID 105221501) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
PubChem CID105221501
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cncc(Br)c1)C1CC2CCC1O2
InChIInChI=1S/C13H18BrN3O/c14-9-3-8(6-16-7-9)4-12(17-15)11-5-10-1-2-13(11)18-10/h3,6-7,10-13,17H,1-2,4-5,15H2
InChIKeyHENPSWMCYZZCFD-UHFFFAOYSA-N
XLogP1.79
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.79
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-(5-bromo-3-pyridinyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105334805
[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105221719
[2-(5-bromo-3-pyridinyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210485
[2-(5-bromo-3-pyridinyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233400
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490
[2-cyclopropyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221479
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
CID 113446951
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
[2-methoxy-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221731
[1-(5-bromofuran-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334847
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine (CID 105221501) is [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine is NNC(Cc1cncc(Br)c1)C1CC2CCC1O2.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
The InChIKey is HENPSWMCYZZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-9-3-8(6-16-7-9)4-12(17-15)11-5-10-1-2-13(11)18-10/h3,6-7,10-13,17H,1-2,4-5,15H2.
What are the key properties of [2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine has a molecular weight of 312.21 g/mol, XLogP of 1.79, 4 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-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105221501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).