ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

C26H33F6N3O6 — CID 171552890

IUPACethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCC.COCc1ncccc1O.COCc1ncccc1OCC(F)(F)F.OCc1ncccc1OCC(F)(F)F
InChIInChI=1S/C9H10F3NO2.C8H8F3NO2.C7H9NO2.C2H6/c1-14-5-7-8(3-2-4-13-7)15-6-9(10,11)12;9-8(10,11)5-14-7-2-1-3-12-6(7)4-13;1-10-5-6-7(9)3-2-4-8-6;1-2/h2-4H,5-6H2,1H3;1-3,13H,4-5H2;2-4,9H,5H2,1H3;1-2H3
InChIKeyLSXZUVCLMOQLKN-UHFFFAOYSA-N
MW597.55 g/mol
LogP5.64
Rot. Bonds9

About ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 171552890) has the molecular formula C26H33F6N3O6 and a molecular weight of 597.55 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID171552890
Molecular FormulaC26H33F6N3O6
Molecular Weight597.55 g/mol
Exact Mass597.23
IUPAC Nameethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCC.COCc1ncccc1O.COCc1ncccc1OCC(F)(F)F.OCc1ncccc1OCC(F)(F)F
InChIInChI=1S/C9H10F3NO2.C8H8F3NO2.C7H9NO2.C2H6/c1-14-5-7-8(3-2-4-13-7)15-6-9(10,11)12;9-8(10,11)5-14-7-2-1-3-12-6(7)4-13;1-10-5-6-7(9)3-2-4-8-6;1-2/h2-4H,5-6H2,1H3;1-3,13H,4-5H2;2-4,9H,5H2,1H3;1-2H3
InChIKeyLSXZUVCLMOQLKN-UHFFFAOYSA-N
XLogP5.64
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.55
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol
CID 135502922
(5-(2,2,2-Trifluoroethoxy)pyridin-2-yl)methanol
CID 66893281
[5-(2-Fluoroethoxy)pyridin-2-yl]methanol
CID 80695239
3-Butoxy-2-hydroxymethylpyridine
CID 89584446
1,2,2-Trifluoro-1-(3-phenoxy-2-pyridinyl)ethanol
CID 20186047
1-[3-(4-Fluorophenoxy)-2-pyridinyl]ethanol
CID 20304932
2-[3-(4-Fluorophenoxy)-2-pyridinyl]-2-hydroxyacetonitrile
CID 20304958
{5-[(5,5,5-Trifluoropentyl)oxy]pyridin-2-yl}methanol
CID 23335292
[5-(1,2,2-Trifluoroethoxy)-2-pyridinyl]methanol
CID 68825277
3-(2-Pyridin-4-ylethenyl)-5-(2-pyridin-2-ylethoxy)pyridine;2,2,2-trifluoroacetic acid
CID 69911139
3-(2-Pyridin-4-ylethenyl)-5-(1-pyridin-2-ylethoxy)pyridine;2,2,2-trifluoroacetic acid
CID 69918644
1,1,1,3,3,3-Hexafluoro-2-[5-[6-(2-hydroxyethyl)pyridin-3-yl]oxy-6-propylpyridin-2-yl]propan-2-ol
CID 87198344

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 171552890) is ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is CC.COCc1ncccc1O.COCc1ncccc1OCC(F)(F)F.OCc1ncccc1OCC(F)(F)F.
What is the InChIKey of ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is LSXZUVCLMOQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2.C8H8F3NO2.C7H9NO2.C2H6/c1-14-5-7-8(3-2-4-13-7)15-6-9(10,11)12;9-8(10,11)5-14-7-2-1-3-12-6(7)4-13;1-10-5-6-7(9)3-2-4-8-6;1-2/h2-4H,5-6H2,1H3;1-3,13H,4-5H2;2-4,9H,5H2,1H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 597.55 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 171552890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).