N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide

C14H10F3N3O2 — CID 2726879

IUPACN'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cnccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)13(22)20-19-12(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,20,22)
InChIKeyKPOYLYQMNZEUET-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.18
Rot. Bonds2

About N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide

N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 2726879) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID2726879
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC NameN'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cnccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)13(22)20-19-12(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,20,22)
InChIKeyKPOYLYQMNZEUET-UHFFFAOYSA-N
XLogP2.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 2726879) is N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cnccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is KPOYLYQMNZEUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)13(22)20-19-12(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 309.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 2726879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).