(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol

C13H11BrClNO2 — CID 114056463

IUPAC(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1cccnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2/c1-8(17)10-3-2-6-16-13(10)18-12-5-4-9(14)7-11(12)15/h2-8,17H,1H3/t8-/m1/s1
InChIKeyHWDLSALUYFNMOO-MRVPVSSYSA-N
MW328.59 g/mol
LogP4.34
Rot. Bonds3

About (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol

(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol (PubChem CID 114056463) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
PubChem CID114056463
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1cccnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2/c1-8(17)10-3-2-6-16-13(10)18-12-5-4-9(14)7-11(12)15/h2-8,17H,1H3/t8-/m1/s1
InChIKeyHWDLSALUYFNMOO-MRVPVSSYSA-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

Analyze (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
CID 114056372
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
CID 114056411
(1S)-1-[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]ethanamine
CID 114056638

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol (CID 114056463) is (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol is C[C@@H](O)c1cccnc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol?
The InChIKey is HWDLSALUYFNMOO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-8(17)10-3-2-6-16-13(10)18-12-5-4-9(14)7-11(12)15/h2-8,17H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol?
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]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 (1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).