5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

C18H15BrN2O2S — CID 10763673

IUPAC5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1ccc(-c2ncc(Br)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H15BrN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKeyOHUAFMWMWSBLFD-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (PubChem CID 10763673) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
PubChem CID10763673
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1ccc(-c2ncc(Br)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H15BrN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKeyOHUAFMWMWSBLFD-UHFFFAOYSA-N
XLogP4.29
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 139198213
5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
CID 159179951
2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181944
5-chloro-2-(6-methyl-3-pyridinyl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine
CID 25224662
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one
CID 69338057
4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 18184550
CID 174159046
CID 174159046
2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
CID 15380940
4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane
CID 143153542
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
CID 142984761
[4-[[4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]sulfonylamino]-4-oxobutyl] nitrate
CID 10311168
5-[3-chloro-5-(4-methylsulfonylphenyl)-3,4-dihydropyridin-6-yl]-2-methylpyridine
CID 149278689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (CID 10763673) is 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is Cc1ccc(-c2ncc(Br)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The InChIKey is OHUAFMWMWSBLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3.
What are the key properties of 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine has a molecular weight of 403.30 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 10763673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).