4-(4-bromo-2-nitrophenoxy)butanehydrazide

C10H12BrN3O4 — CID 65430385

IUPAC4-(4-bromo-2-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12BrN3O4/c11-7-3-4-9(8(6-7)14(16)17)18-5-1-2-10(15)13-12/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyONMXSOSUBSLYDD-UHFFFAOYSA-N
MW318.13 g/mol
LogP1.51
Rot. Bonds6

About 4-(4-bromo-2-nitrophenoxy)butanehydrazide

4-(4-bromo-2-nitrophenoxy)butanehydrazide (PubChem CID 65430385) has the molecular formula C10H12BrN3O4 and a molecular weight of 318.13 g/mol. Its IUPAC name is 4-(4-bromo-2-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(4-bromo-2-nitrophenoxy)butanehydrazide
PubChem CID65430385
Molecular FormulaC10H12BrN3O4
Molecular Weight318.13 g/mol
Exact Mass317.00
IUPAC Name4-(4-bromo-2-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12BrN3O4/c11-7-3-4-9(8(6-7)14(16)17)18-5-1-2-10(15)13-12/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyONMXSOSUBSLYDD-UHFFFAOYSA-N
XLogP1.51
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
4-bromo-1-but-3-enoxy-2-nitrobenzene
CID 61374931
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
2-(4-bromo-2-nitrophenyl)acetohydrazide
CID 57010527
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
CID 55212631
4-bromo-1-(2-methylsulfanylethoxy)-2-nitrobenzene
CID 103907582

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-nitrophenoxy)butanehydrazide?
The IUPAC name of 4-(4-bromo-2-nitrophenoxy)butanehydrazide (CID 65430385) is 4-(4-bromo-2-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 4-(4-bromo-2-nitrophenoxy)butanehydrazide?
The canonical SMILES for 4-(4-bromo-2-nitrophenoxy)butanehydrazide is NNC(=O)CCCOc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-bromo-2-nitrophenoxy)butanehydrazide?
The InChIKey is ONMXSOSUBSLYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O4/c11-7-3-4-9(8(6-7)14(16)17)18-5-1-2-10(15)13-12/h3-4,6H,1-2,5,12H2,(H,13,15).
What are the key properties of 4-(4-bromo-2-nitrophenoxy)butanehydrazide?
4-(4-bromo-2-nitrophenoxy)butanehydrazide has a molecular weight of 318.13 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 65430385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).