5-fluoro-1-methylsulfinylindole-3-carboxylic acid

C10H8FNO3S — CID 144556986

IUPAC5-fluoro-1-methylsulfinylindole-3-carboxylic acid
SMILESCS(=O)n1cc(C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO3S/c1-16(15)12-5-8(10(13)14)7-4-6(11)2-3-9(7)12/h2-5H,1H3,(H,13,14)
InChIKeyLVWNNJCGEALQSX-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.62
Rot. Bonds2

About 5-fluoro-1-methylsulfinylindole-3-carboxylic acid

5-fluoro-1-methylsulfinylindole-3-carboxylic acid (PubChem CID 144556986) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-fluoro-1-methylsulfinylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-methylsulfinylindole-3-carboxylic acid
PubChem CID144556986
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name5-fluoro-1-methylsulfinylindole-3-carboxylic acid
SMILESCS(=O)n1cc(C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO3S/c1-16(15)12-5-8(10(13)14)7-4-6(11)2-3-9(7)12/h2-5H,1H3,(H,13,14)
InChIKeyLVWNNJCGEALQSX-UHFFFAOYSA-N
XLogP1.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-methylsulfonylindole-3-carboxylic acid
CID 90030984
6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
CID 70686270
1-(5-fluoro-1-methylsulfonylindol-3-yl)propan-1-one
CID 134345481
1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone
CID 118447151
5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid
CID 154408135
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
5-(2,4-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654774
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
2-(3,3-dimethylazetidin-1-yl)-5-fluorobenzoic acid
CID 79686730
6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 15928670
5-fluoro-2-pyrrol-1-ylbenzoic acid
CID 24700120
5-fluoro-1-(3-phenylmethoxypropyl)indole-3-carboxylic acid
CID 18385090

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylsulfinylindole-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-methylsulfinylindole-3-carboxylic acid (CID 144556986) is 5-fluoro-1-methylsulfinylindole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-methylsulfinylindole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-methylsulfinylindole-3-carboxylic acid is CS(=O)n1cc(C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methylsulfinylindole-3-carboxylic acid?
The InChIKey is LVWNNJCGEALQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c1-16(15)12-5-8(10(13)14)7-4-6(11)2-3-9(7)12/h2-5H,1H3,(H,13,14).
What are the key properties of 5-fluoro-1-methylsulfinylindole-3-carboxylic acid?
5-fluoro-1-methylsulfinylindole-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylsulfinylindole-3-carboxylic acid is sourced from PubChem (CID 144556986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).