2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine

C18H14FNOS — CID 57228575

IUPAC2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
SMILESCS(=O)c1ccc(-c2cccnc2-c2cccc(F)c2)cc1
InChIInChI=1S/C18H14FNOS/c1-22(21)16-9-7-13(8-10-16)17-6-3-11-20-18(17)14-4-2-5-15(19)12-14/h2-12H,1H3
InChIKeyUWPKBVFEMZDFQX-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.29
Rot. Bonds3

About 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine

2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine (PubChem CID 57228575) has the molecular formula C18H14FNOS and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
PubChem CID57228575
Molecular FormulaC18H14FNOS
Molecular Weight311.38 g/mol
Exact Mass311.08
IUPAC Name2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
SMILESCS(=O)c1ccc(-c2cccnc2-c2cccc(F)c2)cc1
InChIInChI=1S/C18H14FNOS/c1-22(21)16-9-7-13(8-10-16)17-6-3-11-20-18(17)14-4-2-5-15(19)12-14/h2-12H,1H3
InChIKeyUWPKBVFEMZDFQX-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57076120
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522
N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide
CID 57013438
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
7-[2-(3-fluorophenyl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline
CID 123225555
5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
CID 123941283
6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 90095249
2-(3-isocyanophenyl)-3-phenylpyridine
CID 168821758
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168821667
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
CID 142984761

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine (CID 57228575) is 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine is CS(=O)c1ccc(-c2cccnc2-c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
The InChIKey is UWPKBVFEMZDFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNOS/c1-22(21)16-9-7-13(8-10-16)17-6-3-11-20-18(17)14-4-2-5-15(19)12-14/h2-12H,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine has a molecular weight of 311.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine is sourced from PubChem (CID 57228575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).