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

C13H11BrFNO2 — CID 83234137

IUPAC(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
SMILESC[C@H](O)c1ccnc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C13H11BrFNO2/c1-8(17)9-4-5-16-13(6-9)18-10-2-3-12(15)11(14)7-10/h2-8,17H,1H3/t8-/m0/s1
InChIKeyOSCCTEMGWNDIKH-QMMMGPOBSA-N
MW312.14 g/mol
LogP3.83
Rot. Bonds3

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

(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol (PubChem CID 83234137) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
PubChem CID83234137
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
SMILESC[C@H](O)c1ccnc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C13H11BrFNO2/c1-8(17)9-4-5-16-13(6-9)18-10-2-3-12(15)11(14)7-10/h2-8,17H,1H3/t8-/m0/s1
InChIKeyOSCCTEMGWNDIKH-QMMMGPOBSA-N
XLogP3.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
(1R)-1-[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]ethanol
CID 81331652
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
(1R)-1-[2-(2-fluoro-3-methylphenoxy)-4-pyridinyl]ethanol
CID 107659141
N-[[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 83234738
1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
CID 115492831
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 83236952

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol (CID 83234137) is (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol is C[C@H](O)c1ccnc(Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol?
The InChIKey is OSCCTEMGWNDIKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-8(17)9-4-5-16-13(6-9)18-10-2-3-12(15)11(14)7-10/h2-8,17H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol?
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol has a molecular weight of 312.14 g/mol, XLogP of 3.83, 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-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol is sourced from PubChem (CID 83234137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).