5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid

C17H19FN2O4Si — CID 156808759

IUPAC5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)ncc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H19FN2O4Si/c1-24-17(23)11-8-14(16(21)22)19-9-15(11)20-13-6-5-10(7-12(13)18)25(2,3)4/h5-9,20H,1-4H3,(H,21,22)
InChIKeyMIKFTQUGMVFOOA-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.99
Rot. Bonds5

About 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid

5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 156808759) has the molecular formula C17H19FN2O4Si and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID156808759
Molecular FormulaC17H19FN2O4Si
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)ncc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H19FN2O4Si/c1-24-17(23)11-8-14(16(21)22)19-9-15(11)20-13-6-5-10(7-12(13)18)25(2,3)4/h5-9,20H,1-4H3,(H,21,22)
InChIKeyMIKFTQUGMVFOOA-UHFFFAOYSA-N
XLogP2.99
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate
CID 156808771
methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
CID 114059713
methyl 5-(4-fluoro-2-prop-2-enylanilino)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 170612072
methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
methyl 5-amino-2-(2,3,4-trifluoroanilino)benzoate
CID 61307392
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596662
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
CID 122140941
methyl 2-amino-3-(4-chloro-2-fluoroanilino)benzoate
CID 115545244

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid (CID 156808759) is 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid is COC(=O)c1cc(C(=O)O)ncc1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is MIKFTQUGMVFOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4Si/c1-24-17(23)11-8-14(16(21)22)19-9-15(11)20-13-6-5-10(7-12(13)18)25(2,3)4/h5-9,20H,1-4H3,(H,21,22).
What are the key properties of 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid?
5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 156808759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).