2-(3-bromophenoxy)propanehydrazide

C9H11BrN2O2 — CID 3691173

IUPAC2-(3-bromophenoxy)propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NN
InChIInChI=1S/C9H11BrN2O2/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyBIJXUYQEKVXPGQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.21
Rot. Bonds3

About 2-(3-bromophenoxy)propanehydrazide

2-(3-bromophenoxy)propanehydrazide (PubChem CID 3691173) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)propanehydrazide
PubChem CID3691173
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(3-bromophenoxy)propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NN
InChIInChI=1S/C9H11BrN2O2/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyBIJXUYQEKVXPGQ-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)propanehydrazide (CID 3691173) is 2-(3-bromophenoxy)propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)propanehydrazide is CC(Oc1cccc(Br)c1)C(=O)NN.
What is the InChIKey of 2-(3-bromophenoxy)propanehydrazide?
The InChIKey is BIJXUYQEKVXPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromophenoxy)propanehydrazide?
2-(3-bromophenoxy)propanehydrazide has a molecular weight of 259.10 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)propanehydrazide is sourced from PubChem (CID 3691173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).