4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide

C10H11Br2N3O4 — CID 55212631

IUPAC4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H11Br2N3O4/c11-7-4-6(15(17)18)5-8(12)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16)
InChIKeyCGAZHDVFQJSNJF-UHFFFAOYSA-N
MW397.02 g/mol
LogP2.27
Rot. Bonds6

About 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide

4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide (PubChem CID 55212631) has the molecular formula C10H11Br2N3O4 and a molecular weight of 397.02 g/mol. Its IUPAC name is 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
PubChem CID55212631
Molecular FormulaC10H11Br2N3O4
Molecular Weight397.02 g/mol
Exact Mass394.91
IUPAC Name4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H11Br2N3O4/c11-7-4-6(15(17)18)5-8(12)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16)
InChIKeyCGAZHDVFQJSNJF-UHFFFAOYSA-N
XLogP2.27
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.02
LogP ≤ 52.27
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

4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
CID 63569444
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
2-amino-4-(2,6-dibromo-4-nitrophenoxy)butanoic acid
CID 63033176
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
3-(2,6-dibromo-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 62098666
2-amino-4-(2,6-dibromo-4-nitrophenoxy)-2-methylbutanoic acid
CID 62097654
6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
CID 104506054
2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde
CID 62032902
(E)-4-(2,6-dibromo-4-nitrophenoxy)but-2-enoic acid
CID 55065186
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
2-chloro-3-(2,6-dibromo-4-nitrophenoxy)propanoic acid
CID 113398047
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide?
The IUPAC name of 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide (CID 55212631) is 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide?
The canonical SMILES for 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide is NNC(=O)CCCOc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide?
The InChIKey is CGAZHDVFQJSNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O4/c11-7-4-6(15(17)18)5-8(12)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16).
What are the key properties of 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide?
4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide has a molecular weight of 397.02 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 55212631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).