2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol

C15H16BrNO2 — CID 105100016

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cncc(C)c2)c1
InChIInChI=1S/C15H16BrNO2/c1-10-5-12(9-17-8-10)15(18)7-11-6-13(19-2)3-4-14(11)16/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyUREIMFVJCWMFOG-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 105100016) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID105100016
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cncc(C)c2)c1
InChIInChI=1S/C15H16BrNO2/c1-10-5-12(9-17-8-10)15(18)7-11-6-13(19-2)3-4-14(11)16/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyUREIMFVJCWMFOG-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-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

2-(4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 115374094
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757
[2-(2-bromo-5-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251145
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363113
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol (CID 105100016) is 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol is COc1ccc(Br)c(CC(O)c2cncc(C)c2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is UREIMFVJCWMFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-5-12(9-17-8-10)15(18)7-11-6-13(19-2)3-4-14(11)16/h3-6,8-9,15,18H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105100016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).