5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

C19H17ClN2O2S — CID 10292693

IUPAC5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H17ClN2O2S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24/h4-12H,3H2,1-2H3
InChIKeyWRQFOMMHNDHSPD-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.43
Rot. Bonds4

About 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (PubChem CID 10292693) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
PubChem CID10292693
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H17ClN2O2S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24/h4-12H,3H2,1-2H3
InChIKeyWRQFOMMHNDHSPD-UHFFFAOYSA-N
XLogP4.43
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (CID 10292693) is 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is CCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The InChIKey is WRQFOMMHNDHSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24/h4-12H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine has a molecular weight of 372.88 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 10292693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).