2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid

C16H10BrF3N2O4S — CID 144727523

IUPAC2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1cn2nc(-c3cccc(Br)c3)cc2c(OS(=O)C(F)(F)F)c1C(=O)O
InChIInChI=1S/C16H10BrF3N2O4S/c1-8-7-22-12(6-11(21-22)9-3-2-4-10(17)5-9)14(13(8)15(23)24)26-27(25)16(18,19)20/h2-7H,1H3,(H,23,24)
InChIKeyGYTFXBWMURUSHY-UHFFFAOYSA-N
MW463.23 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid

2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 144727523) has the molecular formula C16H10BrF3N2O4S and a molecular weight of 463.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID144727523
Molecular FormulaC16H10BrF3N2O4S
Molecular Weight463.23 g/mol
Exact Mass461.95
IUPAC Name2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1cn2nc(-c3cccc(Br)c3)cc2c(OS(=O)C(F)(F)F)c1C(=O)O
InChIInChI=1S/C16H10BrF3N2O4S/c1-8-7-22-12(6-11(21-22)9-3-2-4-10(17)5-9)14(13(8)15(23)24)26-27(25)16(18,19)20/h2-7H,1H3,(H,23,24)
InChIKeyGYTFXBWMURUSHY-UHFFFAOYSA-N
XLogP4.33
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[2-(2-bromophenyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridin-5-yl]-2-oxoacetate
CID 117603094
Methyl 2-[2-(4-bromophenyl)-6-methyl-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridin-5-yl]-2-oxoacetate
CID 117603096
2-(3-Bromophenyl)-6-methyl-4-(((trifluoromethyl)sulfonyl)oxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 117603303
tert-Butyl 2-(3-bromophenyl)-6-methyl-4-(((trifluoromethyl)sulfonyl)oxy)pyrazolo[1,5-a]pyridine-5-carboxylate
CID 117603586
8-Methyl-10-(trifluoromethylsulfonyloxy)pyrido[1,2-b]indazole-9-carboxylic acid
CID 117603783
Methyl 2-(2-(3-bromophenyl)-6-methyl-4-(((trifluoromethyl)sulfonyl)oxy)pyrazolo[1,5-a]pyridin-5-yl)-2-oxoacetate
CID 117603906
Tert-butyl 8-methyl-10-(((trifluoromethyl)sulfonyl)oxy)pyrido[1,2-b]indazole-9-carboxylate
CID 117604098
2-(Methoxycarbonyl)-6-methyl-4-(((trifluoromethyl)sulfonyl)oxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 117604108
[5-Acetyl-2-(3-bromophenyl)-6-methylpyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfinate
CID 126627298
6-Methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 141473107
tert-butyl 3-ethenyl-6-methyl-2-[(Z)-prop-1-enyl]-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-5-carboxylate;ethane
CID 144727526
Ethane;8-methyl-10-(trifluoromethylsulfonyloxy)pyrido[1,2-b]indazole-9-carboxylic acid
CID 144727530

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 144727523) is 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid is Cc1cn2nc(-c3cccc(Br)c3)cc2c(OS(=O)C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is GYTFXBWMURUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O4S/c1-8-7-22-12(6-11(21-22)9-3-2-4-10(17)5-9)14(13(8)15(23)24)26-27(25)16(18,19)20/h2-7H,1H3,(H,23,24).
What are the key properties of 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid?
2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 463.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-4-(trifluoromethylsulfinyloxy)pyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 144727523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).