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

C11H16BrN3S2 — CID 105249250

IUPAC[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cn1)C1CSCCS1
InChIInChI=1S/C11H16BrN3S2/c12-8-1-2-9(14-6-8)5-10(15-13)11-7-16-3-4-17-11/h1-2,6,10-11,15H,3-5,7,13H2
InChIKeyAIUCLIUVOGMSNM-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.07
Rot. Bonds4

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

[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105249250) has the molecular formula C11H16BrN3S2 and a molecular weight of 334.31 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105249250
Molecular FormulaC11H16BrN3S2
Molecular Weight334.31 g/mol
Exact Mass333.00
IUPAC Name[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cn1)C1CSCCS1
InChIInChI=1S/C11H16BrN3S2/c12-8-1-2-9(14-6-8)5-10(15-13)11-7-16-3-4-17-11/h1-2,6,10-11,15H,3-5,7,13H2
InChIKeyAIUCLIUVOGMSNM-UHFFFAOYSA-N
XLogP2.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005841
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249447
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249347
[2-(5-bromo-2-pyridinyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105334602
[2-(5-bromo-2-pyridinyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265764
[2-(5-bromo-2-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247256
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249387
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104803700
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 107895212

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (CID 105249250) is [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Br)cn1)C1CSCCS1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is AIUCLIUVOGMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S2/c12-8-1-2-9(14-6-8)5-10(15-13)11-7-16-3-4-17-11/h1-2,6,10-11,15H,3-5,7,13H2.
What are the key properties of [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 334.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).