[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine

C9H11BrF3N3 — CID 105251012

IUPAC[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1cncc(Br)c1
InChIInChI=1S/C9H11BrF3N3/c10-7-3-6(4-15-5-7)8(16-14)1-2-9(11,12)13/h3-5,8,16H,1-2,14H2
InChIKeyMXNVEDPPPVVMDE-UHFFFAOYSA-N
MW298.11 g/mol
LogP2.69
Rot. Bonds4

About [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine

[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105251012) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105251012
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1cncc(Br)c1
InChIInChI=1S/C9H11BrF3N3/c10-7-3-6(4-15-5-7)8(16-14)1-2-9(11,12)13/h3-5,8,16H,1-2,14H2
InChIKeyMXNVEDPPPVVMDE-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 52.69
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-(5-bromo-3-pyridinyl)butylhydrazine
CID 105251041
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828
[1-(5-bromo-3-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105251116
[1-(5-bromo-3-pyridinyl)-2-naphthalen-1-ylethyl]hydrazine
CID 105251218
[2-(5-bromo-2-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251172
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
1-(5-methyl-3-pyridinyl)pentylhydrazine
CID 105245659
[2-(2-bromo-5-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251145
(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
CID 105248975

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine (CID 105251012) is [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)c1cncc(Br)c1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is MXNVEDPPPVVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c10-7-3-6(4-15-5-7)8(16-14)1-2-9(11,12)13/h3-5,8,16H,1-2,14H2.
What are the key properties of [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 298.11 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105251012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).