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

C14H12F3N3O — CID 139983814

IUPACN'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNCc1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-6-7-18-9-11(12)13(21)20-19-8-10-4-2-1-3-5-10/h1-7,9,19H,8H2,(H,20,21)
InChIKeyIKJNHMJPJGSRFN-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.54
Rot. Bonds4

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

N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 139983814) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID139983814
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNCc1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-6-7-18-9-11(12)13(21)20-19-8-10-4-2-1-3-5-10/h1-7,9,19H,8H2,(H,20,21)
InChIKeyIKJNHMJPJGSRFN-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.54
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'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 139983814) is N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide is O=C(NNCc1ccccc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is IKJNHMJPJGSRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)12-6-7-18-9-11(12)13(21)20-19-8-10-4-2-1-3-5-10/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 295.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 139983814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).