2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol

C11H10F3N3O — CID 71294394

IUPAC2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol
SMILESCn1nccc1-c1ccc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3O/c1-17-9(4-5-16-17)8-3-2-7(6-15-8)10(18)11(12,13)14/h2-6,10,18H,1H3
InChIKeyLRHDOHNPYUJSCI-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.08
Rot. Bonds2

About 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol

2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol (PubChem CID 71294394) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol
PubChem CID71294394
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol
SMILESCn1nccc1-c1ccc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3O/c1-17-9(4-5-16-17)8-3-2-7(6-15-8)10(18)11(12,13)14/h2-6,10,18H,1H3
InChIKeyLRHDOHNPYUJSCI-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol (CID 71294394) is 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol is Cn1nccc1-c1ccc(C(O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol?
The InChIKey is LRHDOHNPYUJSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-9(4-5-16-17)8-3-2-7(6-15-8)10(18)11(12,13)14/h2-6,10,18H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol?
2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol has a molecular weight of 257.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 71294394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).