5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine

C18H15ClN2OS — CID 10472587

IUPAC5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine
SMILESCc1ccc(-c2ncc(Cl)cc2-c2ccc([S@](C)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2OS/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22/h3-11H,1-2H3/t23-/m0/s1
InChIKeySLXXLDBGJKCVGS-QHCPKHFHSA-N
MW342.85 g/mol
LogP4.51
Rot. Bonds3

About 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine

5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine (PubChem CID 10472587) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine
PubChem CID10472587
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine
SMILESCc1ccc(-c2ncc(Cl)cc2-c2ccc([S@](C)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2OS/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22/h3-11H,1-2H3/t23-/m0/s1
InChIKeySLXXLDBGJKCVGS-QHCPKHFHSA-N
XLogP4.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine?
The IUPAC name of 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine (CID 10472587) is 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine.
What is the SMILES notation for 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine?
The canonical SMILES for 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine is Cc1ccc(-c2ncc(Cl)cc2-c2ccc([S@](C)=O)cc2)cn1.
What is the InChIKey of 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine?
The InChIKey is SLXXLDBGJKCVGS-QHCPKHFHSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22/h3-11H,1-2H3/t23-/m0/s1.
What are the key properties of 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine?
5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine has a molecular weight of 342.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-[(S)-methylsulfinyl]phenyl]pyridine is sourced from PubChem (CID 10472587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).