N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide

C11H11F3N4O — CID 10588213

IUPACN'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N4O/c1-6(2)10(19)18-17-9-7(5-15)3-4-8(16-9)11(12,13)14/h3-4,6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyNZPDKSQTPZPYFV-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.07
Rot. Bonds3

About N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide

N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide (PubChem CID 10588213) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
PubChem CID10588213
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N4O/c1-6(2)10(19)18-17-9-7(5-15)3-4-8(16-9)11(12,13)14/h3-4,6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyNZPDKSQTPZPYFV-UHFFFAOYSA-N
XLogP2.07
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide (CID 10588213) is N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide is CC(C)C(=O)NNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
The InChIKey is NZPDKSQTPZPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6(2)10(19)18-17-9-7(5-15)3-4-8(16-9)11(12,13)14/h3-4,6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide has a molecular weight of 272.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide is sourced from PubChem (CID 10588213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).