5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine

C11H10BrNO2S2 — CID 57290933

IUPAC5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine
SMILESCOc1cc(CS(=O)c2cccs2)ncc1Br
InChIInChI=1S/C11H10BrNO2S2/c1-15-10-5-8(13-6-9(10)12)7-17(14)11-3-2-4-16-11/h2-6H,7H2,1H3
InChIKeyBYEOZHYVUKCYBC-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.22
Rot. Bonds4

About 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine

5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine (PubChem CID 57290933) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine
PubChem CID57290933
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine
SMILESCOc1cc(CS(=O)c2cccs2)ncc1Br
InChIInChI=1S/C11H10BrNO2S2/c1-15-10-5-8(13-6-9(10)12)7-17(14)11-3-2-4-16-11/h2-6H,7H2,1H3
InChIKeyBYEOZHYVUKCYBC-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
The IUPAC name of 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine (CID 57290933) is 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
The canonical SMILES for 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine is COc1cc(CS(=O)c2cccs2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
The InChIKey is BYEOZHYVUKCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-15-10-5-8(13-6-9(10)12)7-17(14)11-3-2-4-16-11/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine has a molecular weight of 332.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine is sourced from PubChem (CID 57290933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).