3-bromobenzohydrazide

C7H7BrN2O — CID 520941

IUPAC3-bromobenzohydrazide
SMILESNNC(=O)c1cccc(Br)c1
InChIInChI=1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKeyBNAQRAZIPAHWAR-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.05
Rot. Bonds1

About 3-bromobenzohydrazide

3-bromobenzohydrazide (PubChem CID 520941) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 3-bromobenzohydrazide.

Molecular Properties

Compound Name3-bromobenzohydrazide
PubChem CID520941
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name3-bromobenzohydrazide
SMILESNNC(=O)c1cccc(Br)c1
InChIInChI=1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKeyBNAQRAZIPAHWAR-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'}

Analyze 3-bromobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzohydrazide?
The IUPAC name of 3-bromobenzohydrazide (CID 520941) is 3-bromobenzohydrazide.
What is the SMILES notation for 3-bromobenzohydrazide?
The canonical SMILES for 3-bromobenzohydrazide is NNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromobenzohydrazide?
The InChIKey is BNAQRAZIPAHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11).
What are the key properties of 3-bromobenzohydrazide?
3-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 3-bromobenzohydrazide is sourced from PubChem (CID 520941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).