[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine

C11H8BrClN4O3 — CID 80916853

IUPAC[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H8BrClN4O3/c12-6-1-3-9(7(13)5-6)20-11-8(17(18)19)2-4-10(15-11)16-14/h1-5H,14H2,(H,15,16)
InChIKeyKKUFLYCAQOMGTO-UHFFFAOYSA-N
MW359.57 g/mol
LogP3.48
Rot. Bonds4

About [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine

[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine (PubChem CID 80916853) has the molecular formula C11H8BrClN4O3 and a molecular weight of 359.57 g/mol. Its IUPAC name is [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
PubChem CID80916853
Molecular FormulaC11H8BrClN4O3
Molecular Weight359.57 g/mol
Exact Mass357.95
IUPAC Name[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H8BrClN4O3/c12-6-1-3-9(7(13)5-6)20-11-8(17(18)19)2-4-10(15-11)16-14/h1-5H,14H2,(H,15,16)
InChIKeyKKUFLYCAQOMGTO-UHFFFAOYSA-N
XLogP3.48
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 53.48
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

6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
CID 80881860
1-(4-bromo-2-chlorophenoxy)-2,4-dinitrobenzene
CID 9311080
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80922024
[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]hydrazine
CID 80916570
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine (CID 80916853) is [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine is NNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Cl)n1.
What is the InChIKey of [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine?
The InChIKey is KKUFLYCAQOMGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O3/c12-6-1-3-9(7(13)5-6)20-11-8(17(18)19)2-4-10(15-11)16-14/h1-5H,14H2,(H,15,16).
What are the key properties of [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine?
[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine has a molecular weight of 359.57 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 80916853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).