N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide

C15H11F4N3O4 — CID 17441900

IUPACN'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H11F4N3O4/c16-9-3-1-2-4-10(9)26-7-12(23)21-22-14(25)8-5-6-11(15(17,18)19)20-13(8)24/h1-6H,7H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyYETHCFRFHLSNOS-UHFFFAOYSA-N
MW373.26 g/mol
LogP1.37
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide (PubChem CID 17441900) has the molecular formula C15H11F4N3O4 and a molecular weight of 373.26 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide
PubChem CID17441900
Molecular FormulaC15H11F4N3O4
Molecular Weight373.26 g/mol
Exact Mass373.07
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H11F4N3O4/c16-9-3-1-2-4-10(9)26-7-12(23)21-22-14(25)8-5-6-11(15(17,18)19)20-13(8)24/h1-6H,7H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyYETHCFRFHLSNOS-UHFFFAOYSA-N
XLogP1.37
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9471920

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide (CID 17441900) is N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide?
The InChIKey is YETHCFRFHLSNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O4/c16-9-3-1-2-4-10(9)26-7-12(23)21-22-14(25)8-5-6-11(15(17,18)19)20-13(8)24/h1-6H,7H2,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide has a molecular weight of 373.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 17441900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).