[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol

C13H12BrNOS — CID 114055373

IUPAC[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
SMILESCc1ccc(Sc2ccc(Br)cn2)c(CO)c1
InChIInChI=1S/C13H12BrNOS/c1-9-2-4-12(10(6-9)8-16)17-13-5-3-11(14)7-15-13/h2-7,16H,8H2,1H3
InChIKeyFSGKURLYQHFUOE-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.80
Rot. Bonds3

About [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol

[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol (PubChem CID 114055373) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
PubChem CID114055373
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
SMILESCc1ccc(Sc2ccc(Br)cn2)c(CO)c1
InChIInChI=1S/C13H12BrNOS/c1-9-2-4-12(10(6-9)8-16)17-13-5-3-11(14)7-15-13/h2-7,16H,8H2,1H3
InChIKeyFSGKURLYQHFUOE-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
CID 80651359
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
CID 54147084
4-bromo-2-[(5-bromo-2-pyridinyl)sulfanyl]benzoic acid
CID 115382255
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
1-[4-bromo-2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanone
CID 82972470
[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
CID 114055364
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
CID 80650862
[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
CID 102926243
(1S)-1-[4-[(5-bromo-2-pyridinyl)sulfanyl]-3-fluorophenyl]ethanamine
CID 78992828
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
CID 83270139

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol (CID 114055373) is [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol is Cc1ccc(Sc2ccc(Br)cn2)c(CO)c1.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol?
The InChIKey is FSGKURLYQHFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-9-2-4-12(10(6-9)8-16)17-13-5-3-11(14)7-15-13/h2-7,16H,8H2,1H3.
What are the key properties of [2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol?
[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol has a molecular weight of 310.22 g/mol, XLogP of 3.80, 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]-5-methylphenyl]methanol is sourced from PubChem (CID 114055373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).