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

C11H10BrNO2S2 — CID 57115109

IUPAC3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine
SMILESCOc1ccnc(CS(=O)c2cccs2)c1Br
InChIInChI=1S/C11H10BrNO2S2/c1-15-9-4-5-13-8(11(9)12)7-17(14)10-3-2-6-16-10/h2-6H,7H2,1H3
InChIKeyUHNADHGQHJLEKO-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.22
Rot. Bonds4

About 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine

3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine (PubChem CID 57115109) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine
PubChem CID57115109
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine
SMILESCOc1ccnc(CS(=O)c2cccs2)c1Br
InChIInChI=1S/C11H10BrNO2S2/c1-15-9-4-5-13-8(11(9)12)7-17(14)10-3-2-6-16-10/h2-6H,7H2,1H3
InChIKeyUHNADHGQHJLEKO-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 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
The IUPAC name of 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine (CID 57115109) is 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine.
What is the SMILES notation for 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
The canonical SMILES for 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine is COc1ccnc(CS(=O)c2cccs2)c1Br.
What is the InChIKey of 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
The InChIKey is UHNADHGQHJLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-15-9-4-5-13-8(11(9)12)7-17(14)10-3-2-6-16-10/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine?
3-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 3-bromo-4-methoxy-2-(thiophen-2-ylsulfinylmethyl)pyridine is sourced from PubChem (CID 57115109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).