1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine

C11H12F3N3 — CID 105307862

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3N3/c1-2-3-4-10(17-15)9-6-5-8(7-16-9)11(12,13)14/h1,5-7,10,17H,3-4,15H2
InChIKeyBRRRIOHTEUJRIS-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.02
Rot. Bonds4

About 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine

1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine (PubChem CID 105307862) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
PubChem CID105307862
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3N3/c1-2-3-4-10(17-15)9-6-5-8(7-16-9)11(12,13)14/h1,5-7,10,17H,3-4,15H2
InChIKeyBRRRIOHTEUJRIS-UHFFFAOYSA-N
XLogP2.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.02
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-enylhydrazine
CID 105311544
1-[5-(trifluoromethyl)-2-pyridinyl]nonylhydrazine
CID 105294404
[3-phenyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]hydrazine
CID 105285864
[2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105311054
[3-thiophen-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]hydrazine
CID 105306759
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053
1-(5-methylpyrazin-2-yl)pent-4-ynylhydrazine
CID 105307917
[2-(2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105284705
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
CID 105333301
[2-thiophen-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105297747
[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105298819
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine (CID 105307862) is 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine is C#CCCC(NN)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine?
The InChIKey is BRRRIOHTEUJRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-2-3-4-10(17-15)9-6-5-8(7-16-9)11(12,13)14/h1,5-7,10,17H,3-4,15H2.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine?
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine has a molecular weight of 243.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine is sourced from PubChem (CID 105307862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).