2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide

C10H8F3N3O2 — CID 1229880

IUPAC2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
SMILESCc1cc(C(F)(F)F)nc(OCC(N)=O)c1C#N
InChIInChI=1S/C10H8F3N3O2/c1-5-2-7(10(11,12)13)16-9(6(5)3-14)18-4-8(15)17/h2H,4H2,1H3,(H2,15,17)
InChIKeySQQGXPWGINFIIE-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.14
Rot. Bonds3

About 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide

2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide (PubChem CID 1229880) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
PubChem CID1229880
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
SMILESCc1cc(C(F)(F)F)nc(OCC(N)=O)c1C#N
InChIInChI=1S/C10H8F3N3O2/c1-5-2-7(10(11,12)13)16-9(6(5)3-14)18-4-8(15)17/h2H,4H2,1H3,(H2,15,17)
InChIKeySQQGXPWGINFIIE-UHFFFAOYSA-N
XLogP1.14
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide?
The IUPAC name of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide (CID 1229880) is 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide?
The canonical SMILES for 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide is Cc1cc(C(F)(F)F)nc(OCC(N)=O)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide?
The InChIKey is SQQGXPWGINFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-5-2-7(10(11,12)13)16-9(6(5)3-14)18-4-8(15)17/h2H,4H2,1H3,(H2,15,17).
What are the key properties of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide?
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide has a molecular weight of 259.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 1229880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).