4-bromobenzohydrazide

C7H7BrN2O — CID 22219

IUPAC4-bromobenzohydrazide
SMILESNNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKeyUYIMBYKIIMYFPS-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.05
Rot. Bonds1

About 4-bromobenzohydrazide

4-bromobenzohydrazide (PubChem CID 22219) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 4-bromobenzohydrazide.

Molecular Properties

Compound Name4-bromobenzohydrazide
PubChem CID22219
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name4-bromobenzohydrazide
SMILESNNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKeyUYIMBYKIIMYFPS-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-bromobenzohydrazide?
The IUPAC name of 4-bromobenzohydrazide (CID 22219) is 4-bromobenzohydrazide.
What is the SMILES notation for 4-bromobenzohydrazide?
The canonical SMILES for 4-bromobenzohydrazide is NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzohydrazide?
The InChIKey is UYIMBYKIIMYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11).
What are the key properties of 4-bromobenzohydrazide?
4-bromobenzohydrazide has a molecular weight of 215.05 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzohydrazide is sourced from PubChem (CID 22219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).