2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol

C7H8BrNOS — CID 43446269

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
SMILESOCCSc1ccc(Br)cn1
InChIInChI=1S/C7H8BrNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyMOOIQZJTSOIXJQ-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.93
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol

2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol (PubChem CID 43446269) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
PubChem CID43446269
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
SMILESOCCSc1ccc(Br)cn1
InChIInChI=1S/C7H8BrNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyMOOIQZJTSOIXJQ-UHFFFAOYSA-N
XLogP1.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[(5-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821543
4-[(5-bromo-2-pyridinyl)sulfanyl]butan-2-one
CID 61339572
5-[(5-bromo-2-pyridinyl)sulfanyl]pentan-2-one
CID 61339408
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
CID 64820871
6-[(5-bromo-2-pyridinyl)sulfanyl]hexan-3-one
CID 104623596
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
CID 43385380
tert-butyl 3-[(5-bromo-2-pyridinyl)sulfanyl]propanoate
CID 115590566
1-[(5-bromo-2-pyridinyl)sulfanyl]-3-methoxypropan-2-one
CID 107508349
5-bromo-2-[2-(chloromethyl)prop-2-enylsulfanyl]pyridine
CID 103066315
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819078
5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine
CID 105061357
5-[(5-bromo-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
CID 65255657

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol (CID 43446269) is 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol is OCCSc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is MOOIQZJTSOIXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol?
2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 234.12 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 43446269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).