[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol

C13H18FNO3 — CID 114034719

IUPAC[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol
SMILESCC1CC(Oc2ncc(F)cc2CO)CC(C)O1
InChIInChI=1S/C13H18FNO3/c1-8-3-12(4-9(2)17-8)18-13-10(7-16)5-11(14)6-15-13/h5-6,8-9,12,16H,3-4,7H2,1-2H3
InChIKeyLLYDIOQHABRLBV-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.05
Rot. Bonds3

About [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol

[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol (PubChem CID 114034719) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol
PubChem CID114034719
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol
SMILESCC1CC(Oc2ncc(F)cc2CO)CC(C)O1
InChIInChI=1S/C13H18FNO3/c1-8-3-12(4-9(2)17-8)18-13-10(7-16)5-11(14)6-15-13/h5-6,8-9,12,16H,3-4,7H2,1-2H3
InChIKeyLLYDIOQHABRLBV-UHFFFAOYSA-N
XLogP2.05
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol
CID 105067217
2-(2,6-dimethyloxan-4-yl)oxy-3-methyl-5-propan-2-ylpyridine
CID 176666572
N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 114035738
[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 62001341
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
CID 114034696
2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine
CID 176666936
[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol
CID 114034713
(5-bromo-2-cyclopentyloxy-3-pyridinyl)methanol
CID 62000006
[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
CID 63558075
2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 176666786
4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid
CID 114213938
N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 114929062

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol?
The IUPAC name of [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol (CID 114034719) is [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol is CC1CC(Oc2ncc(F)cc2CO)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol?
The InChIKey is LLYDIOQHABRLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-8-3-12(4-9(2)17-8)18-13-10(7-16)5-11(14)6-15-13/h5-6,8-9,12,16H,3-4,7H2,1-2H3.
What are the key properties of [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol?
[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol has a molecular weight of 255.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 114034719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).