[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C14H13BrF3N3 — CID 105268064

IUPAC[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cccc(C(F)(F)F)c1)c1ncccc1Br
InChIInChI=1S/C14H13BrF3N3/c15-11-5-2-6-20-13(11)12(21-19)8-9-3-1-4-10(7-9)14(16,17)18/h1-7,12,21H,8,19H2
InChIKeyLNCFKURCPBOXHO-UHFFFAOYSA-N
MW360.18 g/mol
LogP3.61
Rot. Bonds4

About [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105268064) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105268064
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cccc(C(F)(F)F)c1)c1ncccc1Br
InChIInChI=1S/C14H13BrF3N3/c15-11-5-2-6-20-13(11)12(21-19)8-9-3-1-4-10(7-9)14(16,17)18/h1-7,12,21H,8,19H2
InChIKeyLNCFKURCPBOXHO-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

3-[1-hydrazinyl-2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
CID 105235141
[1-(3-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105268203
[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235170
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
[1-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235142
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
[1-(3-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105268167
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293218
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
CID 105268247
1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
CID 105268068

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105268064) is [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(Cc1cccc(C(F)(F)F)c1)c1ncccc1Br.
What is the InChIKey of [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is LNCFKURCPBOXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c15-11-5-2-6-20-13(11)12(21-19)8-9-3-1-4-10(7-9)14(16,17)18/h1-7,12,21H,8,19H2.
What are the key properties of [1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]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-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105268064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).