[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine

C12H18BrN3O — CID 105229627

IUPAC[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cn1)C1CCOCC1
InChIInChI=1S/C12H18BrN3O/c13-10-1-2-11(15-8-10)7-12(16-14)9-3-5-17-6-4-9/h1-2,8-9,12,16H,3-7,14H2
InChIKeyFQEIDDGXWNATSV-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.65
Rot. Bonds4

About [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine

[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105229627) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
PubChem CID105229627
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cn1)C1CCOCC1
InChIInChI=1S/C12H18BrN3O/c13-10-1-2-11(15-8-10)7-12(16-14)9-3-5-17-6-4-9/h1-2,8-9,12,16H,3-7,14H2
InChIKeyFQEIDDGXWNATSV-UHFFFAOYSA-N
XLogP1.65
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.65
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-2-pyridinyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265764
[2-(5-ethyl-2-pyridinyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229310
[2-(5-bromo-2-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005841
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480
[2-(5-bromo-2-pyridinyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105334602
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229739
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249250
[2-(5-bromo-2-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218838
[1-(oxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211809
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555
[2-(5-bromo-2-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247256

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine (CID 105229627) is [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine is NNC(Cc1ccc(Br)cn1)C1CCOCC1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is FQEIDDGXWNATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-10-1-2-11(15-8-10)7-12(16-14)9-3-5-17-6-4-9/h1-2,8-9,12,16H,3-7,14H2.
What are the key properties of [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine?
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 300.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105229627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).