2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine

C18H16N2O3S — CID 72711194

IUPAC2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine
SMILESCOc1ccc(-c2cncc(-c3ccc(S(C)(=O)=O)cc3)c2)cn1
InChIInChI=1S/C18H16N2O3S/c1-23-18-8-5-14(12-20-18)16-9-15(10-19-11-16)13-3-6-17(7-4-13)24(2,21)22/h3-12H,1-2H3
InChIKeyDRVAJDIEDHJCRB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.22
Rot. Bonds4

About 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine

2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine (PubChem CID 72711194) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine
PubChem CID72711194
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine
SMILESCOc1ccc(-c2cncc(-c3ccc(S(C)(=O)=O)cc3)c2)cn1
InChIInChI=1S/C18H16N2O3S/c1-23-18-8-5-14(12-20-18)16-9-15(10-19-11-16)13-3-6-17(7-4-13)24(2,21)22/h3-12H,1-2H3
InChIKeyDRVAJDIEDHJCRB-UHFFFAOYSA-N
XLogP3.22
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine (CID 72711194) is 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine is COc1ccc(-c2cncc(-c3ccc(S(C)(=O)=O)cc3)c2)cn1.
What is the InChIKey of 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine?
The InChIKey is DRVAJDIEDHJCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-18-8-5-14(12-20-18)16-9-15(10-19-11-16)13-3-6-17(7-4-13)24(2,21)22/h3-12H,1-2H3.
What are the key properties of 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine?
2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine has a molecular weight of 340.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 72711194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).