[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine

C14H13BrF3N3 — CID 105212854

IUPAC[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1ccncc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H13BrF3N3/c15-10-1-2-11(12(8-10)14(16,17)18)13(21-19)7-9-3-5-20-6-4-9/h1-6,8,13,21H,7,19H2
InChIKeyZNUUVYBKIWIDSA-UHFFFAOYSA-N
MW360.18 g/mol
LogP3.61
Rot. Bonds4

About [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine

[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine (PubChem CID 105212854) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
PubChem CID105212854
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1ccncc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H13BrF3N3/c15-10-1-2-11(12(8-10)14(16,17)18)13(21-19)7-9-3-5-20-6-4-9/h1-6,8,13,21H,7,19H2
InChIKeyZNUUVYBKIWIDSA-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 53.61
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

[1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105281009
[1-(5-bromo-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317484
[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105212857
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
CID 103026706
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
[1-(2,4-dimethylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212370
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
[1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107948008
[1-(2,4-dibromophenyl)-2-phenylethyl]hydrazine
CID 107948002
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
CID 107333507
[1-(4-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine?
The IUPAC name of [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine (CID 105212854) is [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine?
The canonical SMILES for [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine is NNC(Cc1ccncc1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine?
The InChIKey is ZNUUVYBKIWIDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c15-10-1-2-11(12(8-10)14(16,17)18)13(21-19)7-9-3-5-20-6-4-9/h1-6,8,13,21H,7,19H2.
What are the key properties of [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine?
[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine has a molecular weight of 360.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine is sourced from PubChem (CID 105212854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).