[3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate

C10H8F3NO3 — CID 723670

IUPAC[3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate
SMILESCC(=O)Oc1ccnc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C10H8F3NO3/c1-5(15)8-7(17-6(2)16)3-4-14-9(8)10(11,12)13/h3-4H,1-2H3
InChIKeyIZXWVCXDOUJEPE-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.23
Rot. Bonds2

About [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate

[3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate (PubChem CID 723670) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate.

Molecular Properties

Compound Name[3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate
PubChem CID723670
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name[3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate
SMILESCC(=O)Oc1ccnc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C10H8F3NO3/c1-5(15)8-7(17-6(2)16)3-4-14-9(8)10(11,12)13/h3-4H,1-2H3
InChIKeyIZXWVCXDOUJEPE-UHFFFAOYSA-N
XLogP2.23
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
(E)-1-(4-Methoxy-3-pyridyl)-3-[2-(trifluoromethyl)phenyl]-2-propene-1-one
CID 118567519
4-Fluorophenyl pyridine-3-carboxylate
CID 5043073
Methyl 2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylate
CID 677485
4-Methoxy-6-methylpyridine-3-carbaldehyde
CID 59928313
4-Ethoxy-6-methylpyridine-3-carboxamide
CID 145966350
3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinecarboxylic acid methyl ester
CID 129826336
1-(4-Fluoro-2-methoxypyridin-3-yl)ethan-1-one
CID 130115536
Methyl 2-(2,4-difluorophenoxy)pyridine-3-carboxylate
CID 85615603
[2-(Trifluoromethyl)-4-pyridinyl] benzoate
CID 132570966
(2-Acetyl-4-fluorophenyl) pyridine-3-carboxylate
CID 139213841
Tetrafluorophenyl 6-fluoro-4-methoxynicotinate
CID 156579930

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate?
The IUPAC name of [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate (CID 723670) is [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate.
What is the SMILES notation for [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate?
The canonical SMILES for [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate is CC(=O)Oc1ccnc(C(F)(F)F)c1C(C)=O.
What is the InChIKey of [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate?
The InChIKey is IZXWVCXDOUJEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c1-5(15)8-7(17-6(2)16)3-4-14-9(8)10(11,12)13/h3-4H,1-2H3.
What are the key properties of [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate?
[3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate has a molecular weight of 247.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-2-(trifluoromethyl)-4-pyridinyl] acetate is sourced from PubChem (CID 723670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).