[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine

C13H11BrF3N3 — CID 105267889

IUPAC[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H11BrF3N3/c14-10-4-5-11(19-7-10)12(20-18)8-2-1-3-9(6-8)13(15,16)17/h1-7,12,20H,18H2
InChIKeyZDFSXWOLHPZYLA-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.42
Rot. Bonds3

About [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine

[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105267889) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105267889
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H11BrF3N3/c14-10-4-5-11(19-7-10)12(20-18)8-2-1-3-9(6-8)13(15,16)17/h1-7,12,20H,18H2
InChIKeyZDFSXWOLHPZYLA-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.42
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

[(5-methylpyrazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301358
[(5-bromo-2-pyridinyl)-(3-methylphenyl)methyl]hydrazine
CID 105267734
[2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193872
[(2,4-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107948178
[(2,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301356
[(5-bromo-2-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105267769
[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301323
[(3-bromo-5-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107948177
[(2-bromo-3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301331
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
[pyridin-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105287046
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105267889) is [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1cccc(C(F)(F)F)c1)c1ccc(Br)cn1.
What is the InChIKey of [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is ZDFSXWOLHPZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c14-10-4-5-11(19-7-10)12(20-18)8-2-1-3-9(6-8)13(15,16)17/h1-7,12,20H,18H2.
What are the key properties of [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 346.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105267889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).