2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol

C12H16BrNOS — CID 105126484

IUPAC2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)Cc2cncc(Br)c2)CCCS1
InChIInChI=1S/C12H16BrNOS/c1-12(3-2-4-16-12)11(15)6-9-5-10(13)8-14-7-9/h5,7-8,11,15H,2-4,6H2,1H3
InChIKeyYVJPDRBHFLRLPB-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.03
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 105126484) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
PubChem CID105126484
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)Cc2cncc(Br)c2)CCCS1
InChIInChI=1S/C12H16BrNOS/c1-12(3-2-4-16-12)11(15)6-9-5-10(13)8-14-7-9/h5,7-8,11,15H,2-4,6H2,1H3
InChIKeyYVJPDRBHFLRLPB-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)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-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
2-(3-bromo-4-methoxyphenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105082243
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol
CID 116754077
1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797713
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991
2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036656
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105109515

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol (CID 105126484) is 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol is CC1(C(O)Cc2cncc(Br)c2)CCCS1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is YVJPDRBHFLRLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-12(3-2-4-16-12)11(15)6-9-5-10(13)8-14-7-9/h5,7-8,11,15H,2-4,6H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 302.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 105126484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).