3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine

C16H15FN2O3S — CID 90416744

IUPAC3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3cc(S(C)(=O)=O)ccc3F)cn(C)c12
InChIInChI=1S/C16H15FN2O3S/c1-19-9-13(11-6-7-18-16(22-2)15(11)19)12-8-10(23(3,20)21)4-5-14(12)17/h4-9H,1-3H3
InChIKeyFBFYMJDIOWSIBG-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine

3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 90416744) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
PubChem CID90416744
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3cc(S(C)(=O)=O)ccc3F)cn(C)c12
InChIInChI=1S/C16H15FN2O3S/c1-19-9-13(11-6-7-18-16(22-2)15(11)19)12-8-10(23(3,20)21)4-5-14(12)17/h4-9H,1-3H3
InChIKeyFBFYMJDIOWSIBG-UHFFFAOYSA-N
XLogP2.79
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine (CID 90416744) is 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine is COc1nccc2c(-c3cc(S(C)(=O)=O)ccc3F)cn(C)c12.
What is the InChIKey of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is FBFYMJDIOWSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-19-9-13(11-6-7-18-16(22-2)15(11)19)12-8-10(23(3,20)21)4-5-14(12)17/h4-9H,1-3H3.
What are the key properties of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 334.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90416744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).