4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide

C13H13F6N3O — CID 139983759

IUPAC4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
SMILESC=CCC(C)(NNC(=O)c1cnccc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6N3O/c1-3-5-11(2,13(17,18)19)22-21-10(23)8-7-20-6-4-9(8)12(14,15)16/h3-4,6-7,22H,1,5H2,2H3,(H,21,23)
InChIKeyFPZXJTSSZYJQRX-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.23
Rot. Bonds5

About 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide

4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide (PubChem CID 139983759) has the molecular formula C13H13F6N3O and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
PubChem CID139983759
Molecular FormulaC13H13F6N3O
Molecular Weight341.26 g/mol
Exact Mass341.10
IUPAC Name4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
SMILESC=CCC(C)(NNC(=O)c1cnccc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6N3O/c1-3-5-11(2,13(17,18)19)22-21-10(23)8-7-20-6-4-9(8)12(14,15)16/h3-4,6-7,22H,1,5H2,2H3,(H,21,23)
InChIKeyFPZXJTSSZYJQRX-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983760
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983740
N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979948
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983790
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683
prop-2-enyl N'-benzyl-N-[4-(trifluoromethyl)pyridine-3-carbonyl]carbamimidothioate
CID 11372383
N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979934

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide?
The IUPAC name of 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide (CID 139983759) is 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide?
The canonical SMILES for 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide is C=CCC(C)(NNC(=O)c1cnccc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide?
The InChIKey is FPZXJTSSZYJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N3O/c1-3-5-11(2,13(17,18)19)22-21-10(23)8-7-20-6-4-9(8)12(14,15)16/h3-4,6-7,22H,1,5H2,2H3,(H,21,23).
What are the key properties of 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide?
4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide has a molecular weight of 341.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 139983759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).