[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine

C11H9BrFN3O — CID 114677416

IUPAC[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
SMILESNNc1cccc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H9BrFN3O/c12-7-4-5-8(13)9(6-7)17-11-3-1-2-10(15-11)16-14/h1-6H,14H2,(H,15,16)
InChIKeyMKAUAYRIYFUQGJ-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.06
Rot. Bonds3

About [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine

[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine (PubChem CID 114677416) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
PubChem CID114677416
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
SMILESNNc1cccc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H9BrFN3O/c12-7-4-5-8(13)9(6-7)17-11-3-1-2-10(15-11)16-14/h1-6H,14H2,(H,15,16)
InChIKeyMKAUAYRIYFUQGJ-UHFFFAOYSA-N
XLogP3.06
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine (CID 114677416) is [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine is NNc1cccc(Oc2cc(Br)ccc2F)n1.
What is the InChIKey of [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine?
The InChIKey is MKAUAYRIYFUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-7-4-5-8(13)9(6-7)17-11-3-1-2-10(15-11)16-14/h1-6H,14H2,(H,15,16).
What are the key properties of [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine?
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine has a molecular weight of 298.12 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine is sourced from PubChem (CID 114677416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).