1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol

C9H11F2NO2 — CID 118425673

IUPAC1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol
SMILESCc1ccc(OC(F)F)c(C(C)O)n1
InChIInChI=1S/C9H11F2NO2/c1-5-3-4-7(14-9(10)11)8(12-5)6(2)13/h3-4,6,9,13H,1-2H3
InChIKeyWLHJHANZOGGSJT-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.04
Rot. Bonds3

About 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol

1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol (PubChem CID 118425673) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol
PubChem CID118425673
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol
SMILESCc1ccc(OC(F)F)c(C(C)O)n1
InChIInChI=1S/C9H11F2NO2/c1-5-3-4-7(14-9(10)11)8(12-5)6(2)13/h3-4,6,9,13H,1-2H3
InChIKeyWLHJHANZOGGSJT-UHFFFAOYSA-N
XLogP2.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-2-hydroxymethyl-6-methylpyridine
CID 135128
3-Hydroxy-2,6-bis(hydroxymethyl)pyridine hydrochloride
CID 12414156
12-(5-Hydroxy-6-methyl-2-pyridinyl)dodecane-1,5-diol
CID 57379200
6-(7-Hydroxydodecyl)-2-methylpyridin-3-ol
CID 57379202
6-(8-Hydroxydodecyl)-2-methylpyridin-3-ol
CID 57379203
12-(5-Hydroxy-6-methyl-2-pyridinyl)dodecane-1,6-diol
CID 57382622
(6-Methoxypyridin-2-yl)methanol
CID 12325389
2-Dec-1-ynyl-3-methoxy-6-methylpyridine
CID 11694568
(4-Methoxy-6-methylpyridin-2-yl)methanol
CID 13925676
2-(6-Methoxypyridin-2-yl)ethan-1-ol
CID 15319871
(5,6-Dimethoxypyridin-2-yl)methanol
CID 45361771
(5-(2,2,2-Trifluoroethoxy)pyridin-2-yl)methanol
CID 66893281

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol (CID 118425673) is 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol is Cc1ccc(OC(F)F)c(C(C)O)n1.
What is the InChIKey of 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol?
The InChIKey is WLHJHANZOGGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-5-3-4-7(14-9(10)11)8(12-5)6(2)13/h3-4,6,9,13H,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol?
1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol has a molecular weight of 203.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-6-methyl-2-pyridinyl]ethanol is sourced from PubChem (CID 118425673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).