N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide

C11H13F4N3O — CID 171823030

IUPACN'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide
SMILESCCC(=O)N(C)NCc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4N3O/c1-3-10(19)18(2)17-6-9-8(12)4-7(5-16-9)11(13,14)15/h4-5,17H,3,6H2,1-2H3
InChIKeyQAOMIGBCELCGMP-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.11
Rot. Bonds4

About N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide

N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide (PubChem CID 171823030) has the molecular formula C11H13F4N3O and a molecular weight of 279.24 g/mol. Its IUPAC name is N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide
PubChem CID171823030
Molecular FormulaC11H13F4N3O
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC NameN'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide
SMILESCCC(=O)N(C)NCc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4N3O/c1-3-10(19)18(2)17-6-9-8(12)4-7(5-16-9)11(13,14)15/h4-5,17H,3,6H2,1-2H3
InChIKeyQAOMIGBCELCGMP-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-ol
CID 58200410
3-Hydroxy-6-(3-pyridinyl)-4-(trifluoromethyl)pyridazine
CID 12170157
N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide
CID 135001456
2-[2-(4-fluorobenzylidene)hydrazino]-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 5334876
2-[2-(2-fluorobenzylidene)hydrazino]-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 5340116
N-methyl-3-(methyl{[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)butanamide
CID 50949826
3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide
CID 51076747
2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 125437913
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]propanamide
CID 132374129
N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 132393654
2-(Hydrazinylmethyl)-5-(trifluoromethyl)pyridine
CID 46941451
2,2,2-trifluoro-N-[(4-methylpyridin-2-yl)methyl]acetamide
CID 57906718

Frequently Asked Questions

What is the IUPAC name of N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide?
The IUPAC name of N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide (CID 171823030) is N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide.
What is the SMILES notation for N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide?
The canonical SMILES for N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide is CCC(=O)N(C)NCc1ncc(C(F)(F)F)cc1F.
What is the InChIKey of N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide?
The InChIKey is QAOMIGBCELCGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O/c1-3-10(19)18(2)17-6-9-8(12)4-7(5-16-9)11(13,14)15/h4-5,17H,3,6H2,1-2H3.
What are the key properties of N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide?
N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide has a molecular weight of 279.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide is sourced from PubChem (CID 171823030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).