3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide

C9H10F3N3OS — CID 118392765

IUPAC3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)NN
InChIInChI=1S/C9H10F3N3OS/c1-2-17-6-3-5(9(10,11)12)4-14-7(6)8(16)15-13/h3-4H,2,13H2,1H3,(H,15,16)
InChIKeyNBFOOXQWAXTRIJ-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.82
Rot. Bonds3

About 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide

3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide (PubChem CID 118392765) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
PubChem CID118392765
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)NN
InChIInChI=1S/C9H10F3N3OS/c1-2-17-6-3-5(9(10,11)12)4-14-7(6)8(16)15-13/h3-4H,2,13H2,1H3,(H,15,16)
InChIKeyNBFOOXQWAXTRIJ-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 150785673
3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 90258825
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 167506885
2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
CID 118535345
1-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 167506629
N-[2-[[(4-bromo-2-pyridinyl)methylideneamino]carbamoyl]-4,6-difluorophenyl]-3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 165389593
(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate
CID 166992279
N-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanylnaphthalene-2-carboxamide
CID 163948303
5-bromo-3-ethylsulfanyl-2-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]pyridine;5-bromo-3-ethylsulfanylpyridine-2-carbohydrazide;ethyl N-methyl-4-(trifluoromethyl)pyridine-2-carboximidothioate
CID 161363803
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
1-[5-ethylsulfanyl-6-[2-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]acetyl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 147211244
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide?
The IUPAC name of 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide (CID 118392765) is 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide is CCSc1cc(C(F)(F)F)cnc1C(=O)NN.
What is the InChIKey of 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide?
The InChIKey is NBFOOXQWAXTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-2-17-6-3-5(9(10,11)12)4-14-7(6)8(16)15-13/h3-4H,2,13H2,1H3,(H,15,16).
What are the key properties of 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide?
3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide has a molecular weight of 265.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 118392765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).