[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C12H9BrF3N3S — CID 102721378

IUPAC[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(Sc2ccccc2Br)n1
InChIInChI=1S/C12H9BrF3N3S/c13-8-3-1-2-4-9(8)20-11-6-7(12(14,15)16)5-10(18-11)19-17/h1-6H,17H2,(H,18,19)
InChIKeyAHXVDGQUZPAMFD-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.30
Rot. Bonds3

About [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721378) has the molecular formula C12H9BrF3N3S and a molecular weight of 364.19 g/mol. Its IUPAC name is [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721378
Molecular FormulaC12H9BrF3N3S
Molecular Weight364.19 g/mol
Exact Mass362.97
IUPAC Name[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(Sc2ccccc2Br)n1
InChIInChI=1S/C12H9BrF3N3S/c13-8-3-1-2-4-9(8)20-11-6-7(12(14,15)16)5-10(18-11)19-17/h1-6H,17H2,(H,18,19)
InChIKeyAHXVDGQUZPAMFD-UHFFFAOYSA-N
XLogP4.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(2-bromophenyl)sulfanyl-4-(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 [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721378) is [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(Sc2ccccc2Br)n1.
What is the InChIKey of [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is AHXVDGQUZPAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3S/c13-8-3-1-2-4-9(8)20-11-6-7(12(14,15)16)5-10(18-11)19-17/h1-6H,17H2,(H,18,19).
What are the key properties of [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 364.19 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).