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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Related Compounds

3-(4-methylphenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
CID 6892655
2-{[5-(Trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 706722
2-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylacetamide
CID 2727805
N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide
CID 965573
N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 9597956
N1-phenyl-2-{[5-(trifluoromethyl)-2-pyridyl]thio}acetamide
CID 2744376
N'-hydroxy-2-{[3-(trifluoromethyl)pyridin-2-yl]thio}ethanimidamide
CID 9580946
2-(phenylsulfanyl)-N'-[(E)-pyridin-3-ylmethylidene]propanehydrazide
CID 9592866
N'-(2-phenylsulfanylpropanoyl)pyridine-4-carbohydrazide
CID 24982495
2-(Methylthio)nicotinic acid hydrazide
CID 2760081
3-(4-methylphenyl)sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 5994212
2-methyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]propanamide
CID 127039435

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).