4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol

C12H10BrNOS — CID 105367489

IUPAC4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
SMILESCc1cnc(Sc2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-8-6-11(13)12(14-7-8)16-10-4-2-9(15)3-5-10/h2-7,15H,1H3
InChIKeyKFAUTFSIDMHSNM-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.01
Rot. Bonds2

About 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol

4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol (PubChem CID 105367489) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
PubChem CID105367489
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
SMILESCc1cnc(Sc2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-8-6-11(13)12(14-7-8)16-10-4-2-9(15)3-5-10/h2-7,15H,1H3
InChIKeyKFAUTFSIDMHSNM-UHFFFAOYSA-N
XLogP4.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol?
The IUPAC name of 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol (CID 105367489) is 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol.
What is the SMILES notation for 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol?
The canonical SMILES for 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol is Cc1cnc(Sc2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol?
The InChIKey is KFAUTFSIDMHSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-6-11(13)12(14-7-8)16-10-4-2-9(15)3-5-10/h2-7,15H,1H3.
What are the key properties of 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol?
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol has a molecular weight of 296.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol is sourced from PubChem (CID 105367489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).