1-bromo-1-phenylhydrazine

C6H7BrN2 — CID 19846364

IUPAC1-bromo-1-phenylhydrazine
SMILESNN(Br)c1ccccc1
InChIInChI=1S/C6H7BrN2/c7-9(8)6-4-2-1-3-5-6/h1-5H,8H2
InChIKeyNBXGIIMMSBYDKU-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.68
Rot. Bonds1

About 1-bromo-1-phenylhydrazine

1-bromo-1-phenylhydrazine (PubChem CID 19846364) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 1-bromo-1-phenylhydrazine.

Molecular Properties

Compound Name1-bromo-1-phenylhydrazine
PubChem CID19846364
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name1-bromo-1-phenylhydrazine
SMILESNN(Br)c1ccccc1
InChIInChI=1S/C6H7BrN2/c7-9(8)6-4-2-1-3-5-6/h1-5H,8H2
InChIKeyNBXGIIMMSBYDKU-UHFFFAOYSA-N
XLogP1.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-1-phenylhydrazine 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 1-bromo-1-phenylhydrazine?
The IUPAC name of 1-bromo-1-phenylhydrazine (CID 19846364) is 1-bromo-1-phenylhydrazine.
What is the SMILES notation for 1-bromo-1-phenylhydrazine?
The canonical SMILES for 1-bromo-1-phenylhydrazine is NN(Br)c1ccccc1.
What is the InChIKey of 1-bromo-1-phenylhydrazine?
The InChIKey is NBXGIIMMSBYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-9(8)6-4-2-1-3-5-6/h1-5H,8H2.
What are the key properties of 1-bromo-1-phenylhydrazine?
1-bromo-1-phenylhydrazine has a molecular weight of 187.04 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-phenylhydrazine is sourced from PubChem (CID 19846364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).