[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

C9H10F3NO2 — CID 67291737

IUPAC[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(OCC(F)(F)F)c(CO)n1
InChIInChI=1S/C9H10F3NO2/c1-6-2-3-8(7(4-14)13-6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKeyIOIROQDICNMXDN-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.82
Rot. Bonds3

About [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 67291737) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID67291737
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(OCC(F)(F)F)c(CO)n1
InChIInChI=1S/C9H10F3NO2/c1-6-2-3-8(7(4-14)13-6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKeyIOIROQDICNMXDN-UHFFFAOYSA-N
XLogP1.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 67291737) is [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is Cc1ccc(OCC(F)(F)F)c(CO)n1.
What is the InChIKey of [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is IOIROQDICNMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-6-2-3-8(7(4-14)13-6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3.
What are the key properties of [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 221.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 67291737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).