6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile

C10H9F3N2O2 — CID 166520206

IUPAC6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile
SMILESCOCC(Oc1cccc(C#N)n1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-2-3-7(5-14)15-9/h2-4,8H,6H2,1H3
InChIKeyYEKHGFPLVIKWJC-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.91
Rot. Bonds4

About 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile

6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile (PubChem CID 166520206) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile
PubChem CID166520206
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile
SMILESCOCC(Oc1cccc(C#N)n1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-2-3-7(5-14)15-9/h2-4,8H,6H2,1H3
InChIKeyYEKHGFPLVIKWJC-UHFFFAOYSA-N
XLogP1.91
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile?
The IUPAC name of 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile (CID 166520206) is 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile?
The canonical SMILES for 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile is COCC(Oc1cccc(C#N)n1)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile?
The InChIKey is YEKHGFPLVIKWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-2-3-7(5-14)15-9/h2-4,8H,6H2,1H3.
What are the key properties of 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile?
6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile has a molecular weight of 246.19 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 166520206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).