[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine

C10H8BrN5O3 — CID 80922024

IUPAC[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine
SMILESNNc1cncc(Oc2ccc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8BrN5O3/c11-6-1-2-8(7(3-6)16(17)18)19-10-5-13-4-9(14-10)15-12/h1-5H,12H2,(H,14,15)
InChIKeyUWBKIJUUXSDJMN-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.23
Rot. Bonds4

About [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine

[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine (PubChem CID 80922024) has the molecular formula C10H8BrN5O3 and a molecular weight of 326.11 g/mol. Its IUPAC name is [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine
PubChem CID80922024
Molecular FormulaC10H8BrN5O3
Molecular Weight326.11 g/mol
Exact Mass324.98
IUPAC Name[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine
SMILESNNc1cncc(Oc2ccc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8BrN5O3/c11-6-1-2-8(7(3-6)16(17)18)19-10-5-13-4-9(14-10)15-12/h1-5H,12H2,(H,14,15)
InChIKeyUWBKIJUUXSDJMN-UHFFFAOYSA-N
XLogP2.23
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(4-bromo-2-methyl-6-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80923460
[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]hydrazine
CID 80916570
6-(4-bromo-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66457113
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526
6-(4-bromo-2-nitrophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80877132
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]hydrazine
CID 80912756
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80876831
[6-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 80931175
[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80916853
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine?
The IUPAC name of [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine (CID 80922024) is [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine is NNc1cncc(Oc2ccc(Br)cc2[N+](=O)[O-])n1.
What is the InChIKey of [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine?
The InChIKey is UWBKIJUUXSDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O3/c11-6-1-2-8(7(3-6)16(17)18)19-10-5-13-4-9(14-10)15-12/h1-5H,12H2,(H,14,15).
What are the key properties of [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine?
[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine has a molecular weight of 326.11 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine is sourced from PubChem (CID 80922024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).