[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine

C11H9BrN4O3 — CID 114071582

IUPAC[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
SMILESNNc1cc([N+](=O)[O-])cc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H9BrN4O3/c12-7-2-1-3-9(4-7)19-11-6-8(16(17)18)5-10(14-11)15-13/h1-6H,13H2,(H,14,15)
InChIKeyLPJSKKZNAARHJH-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.83
Rot. Bonds4

About [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine

[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine (PubChem CID 114071582) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
PubChem CID114071582
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
SMILESNNc1cc([N+](=O)[O-])cc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H9BrN4O3/c12-7-2-1-3-9(4-7)19-11-6-8(16(17)18)5-10(14-11)15-13/h1-6H,13H2,(H,14,15)
InChIKeyLPJSKKZNAARHJH-UHFFFAOYSA-N
XLogP2.83
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 46458129
2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
CID 103588560
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 114071438
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
2-(3-bromophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629363
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine (CID 114071582) is [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine is NNc1cc([N+](=O)[O-])cc(Oc2cccc(Br)c2)n1.
What is the InChIKey of [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine?
The InChIKey is LPJSKKZNAARHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c12-7-2-1-3-9(4-7)19-11-6-8(16(17)18)5-10(14-11)15-13/h1-6H,13H2,(H,14,15).
What are the key properties of [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine?
[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine has a molecular weight of 325.12 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 114071582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).