2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol

C15H16BrNO3 — CID 104801826

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
SMILESCOc1cccc(C(O)Cc2cncc(Br)c2)c1OC
InChIInChI=1S/C15H16BrNO3/c1-19-14-5-3-4-12(15(14)20-2)13(18)7-10-6-11(16)9-17-8-10/h3-6,8-9,13,18H,7H2,1-2H3
InChIKeyINZKKMAJCFYXKZ-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.14
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol

2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol (PubChem CID 104801826) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
PubChem CID104801826
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
SMILESCOc1cccc(C(O)Cc2cncc(Br)c2)c1OC
InChIInChI=1S/C15H16BrNO3/c1-19-14-5-3-4-12(15(14)20-2)13(18)7-10-6-11(16)9-17-8-10/h3-6,8-9,13,18H,7H2,1-2H3
InChIKeyINZKKMAJCFYXKZ-UHFFFAOYSA-N
XLogP3.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909
1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460933
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105204924
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105036707
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol (CID 104801826) is 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol is COc1cccc(C(O)Cc2cncc(Br)c2)c1OC.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol?
The InChIKey is INZKKMAJCFYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-19-14-5-3-4-12(15(14)20-2)13(18)7-10-6-11(16)9-17-8-10/h3-6,8-9,13,18H,7H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol has a molecular weight of 338.20 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol is sourced from PubChem (CID 104801826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).