(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol

C13H11ClFNO2 — CID 104892705

IUPAC(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol
SMILESC[C@H](O)c1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H11ClFNO2/c1-8(17)9-5-6-16-12(7-9)18-11-4-2-3-10(14)13(11)15/h2-8,17H,1H3/t8-/m0/s1
InChIKeyVEAQWKASTIWJBD-QMMMGPOBSA-N
MW267.69 g/mol
LogP3.72
Rot. Bonds3

About (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol

(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol (PubChem CID 104892705) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol
PubChem CID104892705
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol
SMILESC[C@H](O)c1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H11ClFNO2/c1-8(17)9-5-6-16-12(7-9)18-11-4-2-3-10(14)13(11)15/h2-8,17H,1H3/t8-/m0/s1
InChIKeyVEAQWKASTIWJBD-QMMMGPOBSA-N
XLogP3.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
(1R)-1-[2-(2-fluoro-3-methylphenoxy)-4-pyridinyl]ethanol
CID 107659141
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
(1R)-1-[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]ethanol
CID 81331652
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol (CID 104892705) is (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol is C[C@H](O)c1ccnc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol?
The InChIKey is VEAQWKASTIWJBD-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-8(17)9-5-6-16-12(7-9)18-11-4-2-3-10(14)13(11)15/h2-8,17H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol?
(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol has a molecular weight of 267.69 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol is sourced from PubChem (CID 104892705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).