[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C14H13BrF3N3 — CID 102710530

IUPAC[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCc1ccc(C(NN)c2cnccc2C(F)(F)F)cc1Br
InChIInChI=1S/C14H13BrF3N3/c1-8-2-3-9(6-12(8)15)13(21-19)10-7-20-5-4-11(10)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeyQDLWIGDOENPOAL-UHFFFAOYSA-N
MW360.18 g/mol
LogP3.72
Rot. Bonds3

About [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710530) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710530
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCc1ccc(C(NN)c2cnccc2C(F)(F)F)cc1Br
InChIInChI=1S/C14H13BrF3N3/c1-8-2-3-9(6-12(8)15)13(21-19)10-7-20-5-4-11(10)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeyQDLWIGDOENPOAL-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 53.72
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'}

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Related Compounds

[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710396
[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710504
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710482
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
[(3-bromo-4-methylphenyl)-(2-methylphenyl)methyl]hydrazine
CID 105286011
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
[(3-chloro-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304823

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710530) is [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is Cc1ccc(C(NN)c2cnccc2C(F)(F)F)cc1Br.
What is the InChIKey of [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is QDLWIGDOENPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c1-8-2-3-9(6-12(8)15)13(21-19)10-7-20-5-4-11(10)14(16,17)18/h2-7,13,21H,19H2,1H3.
What are the key properties of [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 360.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).