2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol

C14H14BrNO2S — CID 81136925

IUPAC2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2ncccc2Br)c1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-5-2-4-10(8-11)13(17)9-19-14-12(15)6-3-7-16-14/h2-8,13,17H,9H2,1H3
InChIKeyGDGLOKASEUEYOO-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.68
Rot. Bonds5

About 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol

2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol (PubChem CID 81136925) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
PubChem CID81136925
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2ncccc2Br)c1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-5-2-4-10(8-11)13(17)9-19-14-12(15)6-3-7-16-14/h2-8,13,17H,9H2,1H3
InChIKeyGDGLOKASEUEYOO-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81133461
2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 112725157
2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134166
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanol
CID 174438652
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110885117
1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 113221262
2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134479
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81140967
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol (CID 81136925) is 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CSc2ncccc2Br)c1.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is GDGLOKASEUEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-11-5-2-4-10(8-11)13(17)9-19-14-12(15)6-3-7-16-14/h2-8,13,17H,9H2,1H3.
What are the key properties of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol?
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol has a molecular weight of 340.24 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81136925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).