[3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine

C6H5BrF3N3 — CID 99991593

IUPAC[3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1nc(C(F)(F)F)ccc1Br
InChIInChI=1S/C6H5BrF3N3/c7-3-1-2-4(6(8,9)10)12-5(3)13-11/h1-2H,11H2,(H,12,13)
InChIKeyUBNDLHAKKPIGID-UHFFFAOYSA-N
MW256.03 g/mol
LogP2.15
Rot. Bonds1

About [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine

[3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 99991593) has the molecular formula C6H5BrF3N3 and a molecular weight of 256.03 g/mol. Its IUPAC name is [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID99991593
Molecular FormulaC6H5BrF3N3
Molecular Weight256.03 g/mol
Exact Mass254.96
IUPAC Name[3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1nc(C(F)(F)F)ccc1Br
InChIInChI=1S/C6H5BrF3N3/c7-3-1-2-4(6(8,9)10)12-5(3)13-11/h1-2H,11H2,(H,12,13)
InChIKeyUBNDLHAKKPIGID-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.03
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine 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-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 99991593) is [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1nc(C(F)(F)F)ccc1Br.
What is the InChIKey of [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is UBNDLHAKKPIGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3N3/c7-3-1-2-4(6(8,9)10)12-5(3)13-11/h1-2H,11H2,(H,12,13).
What are the key properties of [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine?
[3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 256.03 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 99991593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).