1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol

C13H11BrClNO2 — CID 82970681

IUPAC1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H11BrClNO2/c1-8(17)12-3-2-9(14)4-13(12)18-11-5-10(15)6-16-7-11/h2-8,17H,1H3
InChIKeyDPUANFVFFVAKQK-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.34
Rot. Bonds3

About 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol

1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol (PubChem CID 82970681) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
PubChem CID82970681
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H11BrClNO2/c1-8(17)12-3-2-9(14)4-13(12)18-11-5-10(15)6-16-7-11/h2-8,17H,1H3
InChIKeyDPUANFVFFVAKQK-UHFFFAOYSA-N
XLogP4.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
CID 78996799
4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 114902499
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 64600997
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
1-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 114069448

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol (CID 82970681) is 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1cncc(Cl)c1.
What is the InChIKey of 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is DPUANFVFFVAKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-8(17)12-3-2-9(14)4-13(12)18-11-5-10(15)6-16-7-11/h2-8,17H,1H3.
What are the key properties of 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 328.59 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 82970681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).