5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

C18H15ClN2O2S — CID 10109075

IUPAC5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1ccncc1-c1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-12-7-8-20-11-17(12)18-16(9-14(19)10-21-18)13-3-5-15(6-4-13)24(2,22)23/h3-11H,1-2H3
InChIKeyHXDJUAFXVNSSAP-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.18
Rot. Bonds3

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

5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (PubChem CID 10109075) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
PubChem CID10109075
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1ccncc1-c1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-12-7-8-20-11-17(12)18-16(9-14(19)10-21-18)13-3-5-15(6-4-13)24(2,22)23/h3-11H,1-2H3
InChIKeyHXDJUAFXVNSSAP-UHFFFAOYSA-N
XLogP4.18
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etoricoxib
CID 123619
3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
6-Hydroxymethyletoricoxib
CID 44266438
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
CID 443378
Etoricoxib-N1'-oxide
CID 44266508
5-Chloro-3-[4-(methanesulfonyl)phenyl]-2,4'-bipyridine
CID 9902732
5-Chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfinylphenyl)pyridine
CID 9906073
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,3'']bipyridinyl
CID 10199643
5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,2'']bipyridinyl
CID 10269056

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (CID 10109075) is 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is Cc1ccncc1-c1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The InChIKey is HXDJUAFXVNSSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-12-7-8-20-11-17(12)18-16(9-14(19)10-21-18)13-3-5-15(6-4-13)24(2,22)23/h3-11H,1-2H3.
What are the key properties of 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine has a molecular weight of 358.85 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 10109075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).