5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol

C11H7Br2ClN2O3S — CID 153152215

IUPAC5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol
SMILESO=S(=O)(Cc1ncc(Br)cc1O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H7Br2ClN2O3S/c12-6-1-10(17)9(15-3-6)5-20(18,19)7-2-8(13)11(14)16-4-7/h1-4,17H,5H2
InChIKeyWASBCLFQLXQVBH-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol

5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol (PubChem CID 153152215) has the molecular formula C11H7Br2ClN2O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol
PubChem CID153152215
Molecular FormulaC11H7Br2ClN2O3S
Molecular Weight442.52 g/mol
Exact Mass439.82
IUPAC Name5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol
SMILESO=S(=O)(Cc1ncc(Br)cc1O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H7Br2ClN2O3S/c12-6-1-10(17)9(15-3-6)5-20(18,19)7-2-8(13)11(14)16-4-7/h1-4,17H,5H2
InChIKeyWASBCLFQLXQVBH-UHFFFAOYSA-N
XLogP3.33
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol?
The IUPAC name of 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol (CID 153152215) is 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol.
What is the SMILES notation for 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol?
The canonical SMILES for 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol is O=S(=O)(Cc1ncc(Br)cc1O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol?
The InChIKey is WASBCLFQLXQVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2O3S/c12-6-1-10(17)9(15-3-6)5-20(18,19)7-2-8(13)11(14)16-4-7/h1-4,17H,5H2.
What are the key properties of 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol?
5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol has a molecular weight of 442.52 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol is sourced from PubChem (CID 153152215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).