[3-(bromomethyl)-5-methoxyphenyl]hydrazine

C8H11BrN2O — CID 130837760

IUPAC[3-(bromomethyl)-5-methoxyphenyl]hydrazine
SMILESCOc1cc(CBr)cc(NN)c1
InChIInChI=1S/C8H11BrN2O/c1-12-8-3-6(5-9)2-7(4-8)11-10/h2-4,11H,5,10H2,1H3
InChIKeyPFJKFNZRPAIZOA-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.88
Rot. Bonds3

About [3-(bromomethyl)-5-methoxyphenyl]hydrazine

[3-(bromomethyl)-5-methoxyphenyl]hydrazine (PubChem CID 130837760) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is [3-(bromomethyl)-5-methoxyphenyl]hydrazine.

Molecular Properties

Compound Name[3-(bromomethyl)-5-methoxyphenyl]hydrazine
PubChem CID130837760
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name[3-(bromomethyl)-5-methoxyphenyl]hydrazine
SMILESCOc1cc(CBr)cc(NN)c1
InChIInChI=1S/C8H11BrN2O/c1-12-8-3-6(5-9)2-7(4-8)11-10/h2-4,11H,5,10H2,1H3
InChIKeyPFJKFNZRPAIZOA-UHFFFAOYSA-N
XLogP1.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 [3-(bromomethyl)-5-methoxyphenyl]hydrazine?
The IUPAC name of [3-(bromomethyl)-5-methoxyphenyl]hydrazine (CID 130837760) is [3-(bromomethyl)-5-methoxyphenyl]hydrazine.
What is the SMILES notation for [3-(bromomethyl)-5-methoxyphenyl]hydrazine?
The canonical SMILES for [3-(bromomethyl)-5-methoxyphenyl]hydrazine is COc1cc(CBr)cc(NN)c1.
What is the InChIKey of [3-(bromomethyl)-5-methoxyphenyl]hydrazine?
The InChIKey is PFJKFNZRPAIZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-12-8-3-6(5-9)2-7(4-8)11-10/h2-4,11H,5,10H2,1H3.
What are the key properties of [3-(bromomethyl)-5-methoxyphenyl]hydrazine?
[3-(bromomethyl)-5-methoxyphenyl]hydrazine has a molecular weight of 231.09 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-5-methoxyphenyl]hydrazine is sourced from PubChem (CID 130837760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).