[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine

C13H20BrN3O — CID 105334555

IUPAC[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCO1)Cc1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c14-10-3-4-11(16-9-10)8-12(17-15)5-6-13-2-1-7-18-13/h3-4,9,12-13,17H,1-2,5-8,15H2
InChIKeyZWCMMVZKXASUNH-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.18
Rot. Bonds6

About [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine

[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine (PubChem CID 105334555) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
PubChem CID105334555
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCO1)Cc1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c14-10-3-4-11(16-9-10)8-12(17-15)5-6-13-2-1-7-18-13/h3-4,9,12-13,17H,1-2,5-8,15H2
InChIKeyZWCMMVZKXASUNH-UHFFFAOYSA-N
XLogP2.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.18
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

[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105334479
2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
CID 66454874
[1-(3,5-dibromo-2-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105268360
[1-(1-butan-2-ylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105312572
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
1,4-bis(oxolan-2-yl)butan-2-ylhydrazine
CID 105198575
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105200125
[1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105210871
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine (CID 105334555) is [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine is NNC(CCC1CCCO1)Cc1ccc(Br)cn1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The InChIKey is ZWCMMVZKXASUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c14-10-3-4-11(16-9-10)8-12(17-15)5-6-13-2-1-7-18-13/h3-4,9,12-13,17H,1-2,5-8,15H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine?
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine has a molecular weight of 314.23 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105334555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).