5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine

C11H10BrNS — CID 125454164

IUPAC5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine
SMILESCc1cc(-c2sccc2C)ncc1Br
InChIInChI=1S/C11H10BrNS/c1-7-3-4-14-11(7)10-5-8(2)9(12)6-13-10/h3-6H,1-2H3
InChIKeyYABXEFWRCGMPAY-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.19
Rot. Bonds1

About 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine

5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine (PubChem CID 125454164) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine
PubChem CID125454164
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine
SMILESCc1cc(-c2sccc2C)ncc1Br
InChIInChI=1S/C11H10BrNS/c1-7-3-4-14-11(7)10-5-8(2)9(12)6-13-10/h3-6H,1-2H3
InChIKeyYABXEFWRCGMPAY-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine (CID 125454164) is 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine is Cc1cc(-c2sccc2C)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine?
The InChIKey is YABXEFWRCGMPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-7-3-4-14-11(7)10-5-8(2)9(12)6-13-10/h3-6H,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine?
5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine has a molecular weight of 268.18 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 125454164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).