6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol

C8H8F3NO2 — CID 2783068

IUPAC6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
SMILESCc1ccc(O)c(C(O)C(F)(F)F)n1
InChIInChI=1S/C8H8F3NO2/c1-4-2-3-5(13)6(12-4)7(14)8(9,10)11/h2-3,7,13-14H,1H3
InChIKeyBWSYNBIGBLNASM-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.69
Rot. Bonds1

About 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol

6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol (PubChem CID 2783068) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
PubChem CID2783068
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
SMILESCc1ccc(O)c(C(O)C(F)(F)F)n1
InChIInChI=1S/C8H8F3NO2/c1-4-2-3-5(13)6(12-4)7(14)8(9,10)11/h2-3,7,13-14H,1H3
InChIKeyBWSYNBIGBLNASM-UHFFFAOYSA-N
XLogP1.69
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol (CID 2783068) is 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol is Cc1ccc(O)c(C(O)C(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The InChIKey is BWSYNBIGBLNASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-2-3-5(13)6(12-4)7(14)8(9,10)11/h2-3,7,13-14H,1H3.
What are the key properties of 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol has a molecular weight of 207.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol is sourced from PubChem (CID 2783068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).