(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol

C13H11Cl2NO2 — CID 114056372

IUPAC(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-8(17)9-4-3-7-16-13(9)18-11-6-2-5-10(14)12(11)15/h2-8,17H,1H3/t8-/m0/s1
InChIKeyOMEKPGHJRXYQNN-QMMMGPOBSA-N
MW284.14 g/mol
LogP4.23
Rot. Bonds3

About (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol

(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol (PubChem CID 114056372) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
PubChem CID114056372
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-8(17)9-4-3-7-16-13(9)18-11-6-2-5-10(14)12(11)15/h2-8,17H,1H3/t8-/m0/s1
InChIKeyOMEKPGHJRXYQNN-QMMMGPOBSA-N
XLogP4.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
CID 114056411
(1R)-1-(2-quinolin-8-yloxyphenyl)ethanol
CID 63372301
3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide
CID 55102759
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile
CID 114056377
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
CID 114056480
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol (CID 114056372) is (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol?
The InChIKey is OMEKPGHJRXYQNN-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8(17)9-4-3-7-16-13(9)18-11-6-2-5-10(14)12(11)15/h2-8,17H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol?
(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol has a molecular weight of 284.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).