[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol

C12H10BrNOS — CID 80650862

IUPAC[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
SMILESOCc1ccc(Sc2ccc(Br)cc2)nc1
InChIInChI=1S/C12H10BrNOS/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-7,15H,8H2
InChIKeyUKWVVWVHXWGTJU-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.49
Rot. Bonds3

About [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol

[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol (PubChem CID 80650862) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
PubChem CID80650862
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
SMILESOCc1ccc(Sc2ccc(Br)cc2)nc1
InChIInChI=1S/C12H10BrNOS/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-7,15H,8H2
InChIKeyUKWVVWVHXWGTJU-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80650885
[6-(4-bromophenyl)-3-pyridinyl]methanol
CID 24729901
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
2-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 80644250
[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
CID 80651359
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651278
5-bromo-2-(4-methylsulfonylphenyl)sulfanylpyridine
CID 63237967
[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
CID 107762118
[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
CID 114055373
[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
CID 80651110
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol?
The IUPAC name of [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol (CID 80650862) is [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol is OCc1ccc(Sc2ccc(Br)cc2)nc1.
What is the InChIKey of [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol?
The InChIKey is UKWVVWVHXWGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-7,15H,8H2.
What are the key properties of [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol?
[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol has a molecular weight of 296.19 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol is sourced from PubChem (CID 80650862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).