(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol

C13H11F2NO2 — CID 114056480

IUPAC(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-8(17)10-3-2-6-16-13(10)18-9-4-5-11(14)12(15)7-9/h2-8,17H,1H3/t8-/m1/s1
InChIKeyOQABXBYIIXONIH-MRVPVSSYSA-N
MW251.23 g/mol
LogP3.21
Rot. Bonds3

About (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol

(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol (PubChem CID 114056480) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
PubChem CID114056480
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-8(17)10-3-2-6-16-13(10)18-9-4-5-11(14)12(15)7-9/h2-8,17H,1H3/t8-/m1/s1
InChIKeyOQABXBYIIXONIH-MRVPVSSYSA-N
XLogP3.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
CID 114056411
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile
CID 114056377
2-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112573012
2-(3-fluorophenoxy)-3-propan-2-ylpyridine
CID 130395980
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
CID 114056372
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine
CID 56701060
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol (CID 114056480) is (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol is C[C@@H](O)c1cccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol?
The InChIKey is OQABXBYIIXONIH-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-8(17)10-3-2-6-16-13(10)18-9-4-5-11(14)12(15)7-9/h2-8,17H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol?
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol has a molecular weight of 251.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).