[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol

C14H14BrNOS — CID 102926243

IUPAC[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
SMILESCc1cc(C)nc(Sc2cc(Br)ccc2CO)c1
InChIInChI=1S/C14H14BrNOS/c1-9-5-10(2)16-14(6-9)18-13-7-12(15)4-3-11(13)8-17/h3-7,17H,8H2,1-2H3
InChIKeyZPLKNSJFKXRDSC-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.10
Rot. Bonds3

About [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol

[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol (PubChem CID 102926243) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
PubChem CID102926243
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
SMILESCc1cc(C)nc(Sc2cc(Br)ccc2CO)c1
InChIInChI=1S/C14H14BrNOS/c1-9-5-10(2)16-14(6-9)18-13-7-12(15)4-3-11(13)8-17/h3-7,17H,8H2,1-2H3
InChIKeyZPLKNSJFKXRDSC-UHFFFAOYSA-N
XLogP4.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol?
The IUPAC name of [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol (CID 102926243) is [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol is Cc1cc(C)nc(Sc2cc(Br)ccc2CO)c1.
What is the InChIKey of [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol?
The InChIKey is ZPLKNSJFKXRDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9-5-10(2)16-14(6-9)18-13-7-12(15)4-3-11(13)8-17/h3-7,17H,8H2,1-2H3.
What are the key properties of [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol?
[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol has a molecular weight of 324.24 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 102926243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).