5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane

C10H10BrFN2O2S — CID 153403561

IUPAC5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cn(SF)c2ncc(Br)cc12
InChIInChI=1S/C8H4BrFN2O2S.C2H6/c9-4-1-5-6(8(13)14)3-12(15-10)7(5)11-2-4;1-2/h1-3H,(H,13,14);1-2H3
InChIKeyYUEAPROYSBGTIQ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds2

About 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane

5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane (PubChem CID 153403561) has the molecular formula C10H10BrFN2O2S and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane
PubChem CID153403561
Molecular FormulaC10H10BrFN2O2S
Molecular Weight321.17 g/mol
Exact Mass319.96
IUPAC Name5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cn(SF)c2ncc(Br)cc12
InChIInChI=1S/C8H4BrFN2O2S.C2H6/c9-4-1-5-6(8(13)14)3-12(15-10)7(5)11-2-4;1-2/h1-3H,(H,13,14);1-2H3
InChIKeyYUEAPROYSBGTIQ-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane with MolForge

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Related Compounds

ethyl 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 153403522
5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 145183128
1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 73014138
tert-butyl 5-bromo-3-methylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 73013576
6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 166831391
5-bromo-2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 63005105
[2-bromo-7-[[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605844
5-bromo-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65038907
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949
5-bromo-2-(3-methylbut-3-enoxy)pyridine-3-carboxylic acid
CID 114469984
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane?
The IUPAC name of 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane (CID 153403561) is 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane is CC.O=C(O)c1cn(SF)c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane?
The InChIKey is YUEAPROYSBGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2S.C2H6/c9-4-1-5-6(8(13)14)3-12(15-10)7(5)11-2-4;1-2/h1-3H,(H,13,14);1-2H3.
What are the key properties of 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane?
5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane has a molecular weight of 321.17 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 153403561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).