(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol

C13H12BrNO2 — CID 78941748

IUPAC(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
SMILESC[C@H](O)c1ccc(Oc2cccnc2)c(Br)c1
InChIInChI=1S/C13H12BrNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-9,16H,1H3/t9-/m0/s1
InChIKeyCYIHOYYXJRMOFK-VIFPVBQESA-N
MW294.15 g/mol
LogP3.69
Rot. Bonds3

About (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol

(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol (PubChem CID 78941748) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
PubChem CID78941748
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
SMILESC[C@H](O)c1ccc(Oc2cccnc2)c(Br)c1
InChIInChI=1S/C13H12BrNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-9,16H,1H3/t9-/m0/s1
InChIKeyCYIHOYYXJRMOFK-VIFPVBQESA-N
XLogP3.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
1-(3-nitro-4-pyridin-3-yloxyphenyl)ethanol
CID 43506591
(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
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(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
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1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
CID 62908521
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650
(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
(1S)-1-[3-bromo-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938718

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol (CID 78941748) is (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol is C[C@H](O)c1ccc(Oc2cccnc2)c(Br)c1.
What is the InChIKey of (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol?
The InChIKey is CYIHOYYXJRMOFK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-9,16H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol?
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol has a molecular weight of 294.15 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol is sourced from PubChem (CID 78941748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).