4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine

C22H17FN2OS — CID 19072340

IUPAC4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine
SMILESCS(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17/h2-14,25H,1H3
InChIKeyMHSKRZAFVKHGJT-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.29
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine

4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 19072340) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine
PubChem CID19072340
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine
SMILESCS(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17/h2-14,25H,1H3
InChIKeyMHSKRZAFVKHGJT-UHFFFAOYSA-N
XLogP5.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine (CID 19072340) is 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine is CS(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is MHSKRZAFVKHGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17/h2-14,25H,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine?
4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 376.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 19072340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).