5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine

C15H13FN2OS — CID 142472387

IUPAC5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)n2cc(C)c3cc(F)cnc32)cc1
InChIInChI=1S/C15H13FN2OS/c1-10-3-5-13(6-4-10)20(19)18-9-11(2)14-7-12(16)8-17-15(14)18/h3-9H,1-2H3
InChIKeyUMUJANBGPMVMNP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.36
Rot. Bonds2

About 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine

5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine (PubChem CID 142472387) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine
PubChem CID142472387
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)n2cc(C)c3cc(F)cnc32)cc1
InChIInChI=1S/C15H13FN2OS/c1-10-3-5-13(6-4-10)20(19)18-9-11(2)14-7-12(16)8-17-15(14)18/h3-9H,1-2H3
InChIKeyUMUJANBGPMVMNP-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine (CID 142472387) is 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)n2cc(C)c3cc(F)cnc32)cc1.
What is the InChIKey of 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
The InChIKey is UMUJANBGPMVMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-10-3-5-13(6-4-10)20(19)18-9-11(2)14-7-12(16)8-17-15(14)18/h3-9H,1-2H3.
What are the key properties of 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine has a molecular weight of 288.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142472387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).