2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol

C13H18F3NO4 — CID 171557829

IUPAC2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol
SMILESCC1OCCC(O)C1O.COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NO.C6H12O3/c1-12-6-4-2-3-5(11-6)7(8,9)10;1-4-6(8)5(7)2-3-9-4/h2-4H,1H3;4-8H,2-3H2,1H3
InChIKeyLOOAKWVHDCSOJY-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.63
Rot. Bonds1

About 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol

2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol (PubChem CID 171557829) has the molecular formula C13H18F3NO4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol
PubChem CID171557829
Molecular FormulaC13H18F3NO4
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC Name2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol
SMILESCC1OCCC(O)C1O.COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NO.C6H12O3/c1-12-6-4-2-3-5(11-6)7(8,9)10;1-4-6(8)5(7)2-3-9-4/h2-4H,1H3;4-8H,2-3H2,1H3
InChIKeyLOOAKWVHDCSOJY-UHFFFAOYSA-N
XLogP1.63
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
(6-Methoxypyridin-2-yl)methanol
CID 12325389
(E)-1,2-bis(6-methoxy-2-pyridinyl)ethene-1,2-diol
CID 135923983
2-(6-Methoxypyridin-2-yl)ethan-1-ol
CID 15319871
1-(6-Methoxypyridin-2-yl)ethanol
CID 68951207
[6-(Difluoromethoxy)pyridin-2-yl]methanol
CID 69083466
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
3-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
CID 172433299
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
3-(6-Methoxypyridin-2-yl)propan-1-ol
CID 579667
2-(3-Fluoropent-4-enoxy)-6-methylpyridine
CID 134844997
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-methylpyridine
CID 166449996

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol?
The IUPAC name of 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol (CID 171557829) is 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol.
What is the SMILES notation for 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol?
The canonical SMILES for 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol is CC1OCCC(O)C1O.COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol?
The InChIKey is LOOAKWVHDCSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C6H12O3/c1-12-6-4-2-3-5(11-6)7(8,9)10;1-4-6(8)5(7)2-3-9-4/h2-4H,1H3;4-8H,2-3H2,1H3.
What are the key properties of 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol?
2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol has a molecular weight of 309.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol is sourced from PubChem (CID 171557829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).