N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

C13H10F3N3O — CID 139983790

IUPACN',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESC#CCN(CC#C)NC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H10F3N3O/c1-3-7-19(8-4-2)18-12(20)10-9-17-6-5-11(10)13(14,15)16/h1-2,5-6,9H,7-8H2,(H,18,20)
InChIKeyQYPVIMWYURCPKS-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.31
Rot. Bonds4

About N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 139983790) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID139983790
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESC#CCN(CC#C)NC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H10F3N3O/c1-3-7-19(8-4-2)18-12(20)10-9-17-6-5-11(10)13(14,15)16/h1-2,5-6,9H,7-8H2,(H,18,20)
InChIKeyQYPVIMWYURCPKS-UHFFFAOYSA-N
XLogP1.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
CID 139983759
N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979948
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683
N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983740
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 139983790) is N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is C#CCN(CC#C)NC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is QYPVIMWYURCPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-3-7-19(8-4-2)18-12(20)10-9-17-6-5-11(10)13(14,15)16/h1-2,5-6,9H,7-8H2,(H,18,20).
What are the key properties of N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 281.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 139983790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).