[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine

C13H12Br2FN3 — CID 105267678

IUPAC[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1Br)c1ccc(Br)cn1
InChIInChI=1S/C13H12Br2FN3/c14-9-4-5-11(18-7-9)12(19-17)6-8-2-1-3-10(16)13(8)15/h1-5,7,12,19H,6,17H2
InChIKeyIXCTXARXXKJIQQ-UHFFFAOYSA-N
MW389.07 g/mol
LogP3.49
Rot. Bonds4

About [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine

[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine (PubChem CID 105267678) has the molecular formula C13H12Br2FN3 and a molecular weight of 389.07 g/mol. Its IUPAC name is [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
PubChem CID105267678
Molecular FormulaC13H12Br2FN3
Molecular Weight389.07 g/mol
Exact Mass386.94
IUPAC Name[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1Br)c1ccc(Br)cn1
InChIInChI=1S/C13H12Br2FN3/c14-9-4-5-11(18-7-9)12(19-17)6-8-2-1-3-10(16)13(8)15/h1-5,7,12,19H,6,17H2
InChIKeyIXCTXARXXKJIQQ-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.07
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine (CID 105267678) is [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine is NNC(Cc1cccc(F)c1Br)c1ccc(Br)cn1.
What is the InChIKey of [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
The InChIKey is IXCTXARXXKJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2FN3/c14-9-4-5-11(18-7-9)12(19-17)6-8-2-1-3-10(16)13(8)15/h1-5,7,12,19H,6,17H2.
What are the key properties of [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine has a molecular weight of 389.07 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105267678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).