4,5-dibromo-2-hydrazinylaniline

C6H7Br2N3 — CID 20521458

IUPAC4,5-dibromo-2-hydrazinylaniline
SMILESNNc1cc(Br)c(Br)cc1N
InChIInChI=1S/C6H7Br2N3/c7-3-1-5(9)6(11-10)2-4(3)8/h1-2,11H,9-10H2
InChIKeyPUCXMYXATCWPQD-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.08
Rot. Bonds1

About 4,5-dibromo-2-hydrazinylaniline

4,5-dibromo-2-hydrazinylaniline (PubChem CID 20521458) has the molecular formula C6H7Br2N3 and a molecular weight of 280.95 g/mol. Its IUPAC name is 4,5-dibromo-2-hydrazinylaniline.

Molecular Properties

Compound Name4,5-dibromo-2-hydrazinylaniline
PubChem CID20521458
Molecular FormulaC6H7Br2N3
Molecular Weight280.95 g/mol
Exact Mass278.90
IUPAC Name4,5-dibromo-2-hydrazinylaniline
SMILESNNc1cc(Br)c(Br)cc1N
InChIInChI=1S/C6H7Br2N3/c7-3-1-5(9)6(11-10)2-4(3)8/h1-2,11H,9-10H2
InChIKeyPUCXMYXATCWPQD-UHFFFAOYSA-N
XLogP2.08
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 4,5-dibromo-2-hydrazinylaniline?
The IUPAC name of 4,5-dibromo-2-hydrazinylaniline (CID 20521458) is 4,5-dibromo-2-hydrazinylaniline.
What is the SMILES notation for 4,5-dibromo-2-hydrazinylaniline?
The canonical SMILES for 4,5-dibromo-2-hydrazinylaniline is NNc1cc(Br)c(Br)cc1N.
What is the InChIKey of 4,5-dibromo-2-hydrazinylaniline?
The InChIKey is PUCXMYXATCWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N3/c7-3-1-5(9)6(11-10)2-4(3)8/h1-2,11H,9-10H2.
What are the key properties of 4,5-dibromo-2-hydrazinylaniline?
4,5-dibromo-2-hydrazinylaniline has a molecular weight of 280.95 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-hydrazinylaniline is sourced from PubChem (CID 20521458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).