1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane

C10H13F3N2O — CID 171838290

IUPAC1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H7F3N2O.C2H6/c1-4(14)7-5(12)2-3-6(13-7)8(9,10)11;1-2/h2-3H,12H2,1H3;1-2H3
InChIKeyDCJRCMOXBDXCHK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.91
Rot. Bonds1

About 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane

1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane (PubChem CID 171838290) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane.

Molecular Properties

Compound Name1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane
PubChem CID171838290
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H7F3N2O.C2H6/c1-4(14)7-5(12)2-3-6(13-7)8(9,10)11;1-2/h2-3H,12H2,1H3;1-2H3
InChIKeyDCJRCMOXBDXCHK-UHFFFAOYSA-N
XLogP2.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane?
The IUPAC name of 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane (CID 171838290) is 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane.
What is the SMILES notation for 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane?
The canonical SMILES for 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane is CC.CC(=O)c1nc(C(F)(F)F)ccc1N.
What is the InChIKey of 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane?
The InChIKey is DCJRCMOXBDXCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O.C2H6/c1-4(14)7-5(12)2-3-6(13-7)8(9,10)11;1-2/h2-3H,12H2,1H3;1-2H3.
What are the key properties of 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane?
1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane has a molecular weight of 234.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane is sourced from PubChem (CID 171838290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).