2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide

C10H12F3N3O — CID 2727167

IUPAC2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide
SMILESCC(C)C(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3O/c1-6(2)9(17)16-15-8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZNPDRRPVZGSDBD-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide

2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide (PubChem CID 2727167) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide
PubChem CID2727167
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide
SMILESCC(C)C(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3O/c1-6(2)9(17)16-15-8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZNPDRRPVZGSDBD-UHFFFAOYSA-N
XLogP2.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.20
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 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The IUPAC name of 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide (CID 2727167) is 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide.
What is the SMILES notation for 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The canonical SMILES for 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide is CC(C)C(=O)NNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The InChIKey is ZNPDRRPVZGSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(2)9(17)16-15-8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide has a molecular weight of 247.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propanehydrazide is sourced from PubChem (CID 2727167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).