7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid

C17H16F2N2O2SSi — CID 141208482

IUPAC7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid
SMILESC[Si](C)(C)c1ccc(Nc2c(C(=O)O)sc3c(F)cncc23)c(F)c1
InChIInChI=1S/C17H16F2N2O2SSi/c1-25(2,3)9-4-5-13(11(18)6-9)21-14-10-7-20-8-12(19)15(10)24-16(14)17(22)23/h4-8,21H,1-3H3,(H,22,23)
InChIKeyLVXMMSWJGKKNFL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.56
Rot. Bonds4

About 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid

7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 141208482) has the molecular formula C17H16F2N2O2SSi and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID141208482
Molecular FormulaC17H16F2N2O2SSi
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid
SMILESC[Si](C)(C)c1ccc(Nc2c(C(=O)O)sc3c(F)cncc23)c(F)c1
InChIInChI=1S/C17H16F2N2O2SSi/c1-25(2,3)9-4-5-13(11(18)6-9)21-14-10-7-20-8-12(19)15(10)24-16(14)17(22)23/h4-8,21H,1-3H3,(H,22,23)
InChIKeyLVXMMSWJGKKNFL-UHFFFAOYSA-N
XLogP4.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596662
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596497
5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid
CID 156808759
N-(2-fluoro-4-trimethylsilylphenyl)furo[3,2-c]pyridin-3-amine
CID 141210548
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate
CID 156808771
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxycarbamoyl]-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-7-carboxylate
CID 59704739
ethyl 2-(2-fluoro-4-trimethylsilylanilino)-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 147439705
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 59596445

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid (CID 141208482) is 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid is C[Si](C)(C)c1ccc(Nc2c(C(=O)O)sc3c(F)cncc23)c(F)c1.
What is the InChIKey of 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is LVXMMSWJGKKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2SSi/c1-25(2,3)9-4-5-13(11(18)6-9)21-14-10-7-20-8-12(19)15(10)24-16(14)17(22)23/h4-8,21H,1-3H3,(H,22,23).
What are the key properties of 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid?
7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 378.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 141208482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).