4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide

C10H12F3N3OS — CID 55212515

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
SMILESNNC(=O)CCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)7-3-4-9(15-6-7)18-5-1-2-8(17)16-14/h3-4,6H,1-2,5,14H2,(H,16,17)
InChIKeyYBQQKFPZBGLYTD-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.96
Rot. Bonds5

About 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide

4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide (PubChem CID 55212515) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
PubChem CID55212515
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
SMILESNNC(=O)CCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)7-3-4-9(15-6-7)18-5-1-2-8(17)16-14/h3-4,6H,1-2,5,14H2,(H,16,17)
InChIKeyYBQQKFPZBGLYTD-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide (CID 55212515) is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide is NNC(=O)CCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide?
The InChIKey is YBQQKFPZBGLYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)7-3-4-9(15-6-7)18-5-1-2-8(17)16-14/h3-4,6H,1-2,5,14H2,(H,16,17).
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide?
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide has a molecular weight of 279.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide is sourced from PubChem (CID 55212515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).