3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione

C11H10F3N3O2 — CID 166263412

IUPAC3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)8-3-1-2-7(16-8)6-17-9(18)4-5-15-10(17)19/h1-3H,4-6H2,(H,15,19)
InChIKeyDGDXWETXYXNGFA-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.54
Rot. Bonds2

About 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione

3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 166263412) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID166263412
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)8-3-1-2-7(16-8)6-17-9(18)4-5-15-10(17)19/h1-3H,4-6H2,(H,15,19)
InChIKeyDGDXWETXYXNGFA-UHFFFAOYSA-N
XLogP1.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazinane-2,4-dione
CID 72926617
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
piperidine;[6-(trifluoromethyl)-2-pyridinyl]methanol
CID 177205207
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 121386305
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79231809
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 166608825
3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione
CID 167866725
3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione
CID 72849188
1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidine-2,5-dione
CID 84600686

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione (CID 166263412) is 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is DGDXWETXYXNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)8-3-1-2-7(16-8)6-17-9(18)4-5-15-10(17)19/h1-3H,4-6H2,(H,15,19).
What are the key properties of 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 273.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166263412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).