ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate

C19H20F2N2O3Si — CID 59704610

IUPACethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(F)cncc2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C19H20F2N2O3Si/c1-5-25-19(24)18-16(12-9-22-10-14(21)17(12)26-18)23-15-7-6-11(8-13(15)20)27(2,3)4/h6-10,23H,5H2,1-4H3
InChIKeyOADMIBKWTJUNDN-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.57
Rot. Bonds5

About ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate

ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 59704610) has the molecular formula C19H20F2N2O3Si and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID59704610
Molecular FormulaC19H20F2N2O3Si
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(F)cncc2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C19H20F2N2O3Si/c1-5-25-19(24)18-16(12-9-22-10-14(21)17(12)26-18)23-15-7-6-11(8-13(15)20)27(2,3)4/h6-10,23H,5H2,1-4H3
InChIKeyOADMIBKWTJUNDN-UHFFFAOYSA-N
XLogP4.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
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 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
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595
2-O-benzyl 7-O-ethyl 3-[2-fluoro-4-[methyl(methylidene)-λ4-sulfanyl]anilino]furo[3,2-c]pyridine-2,7-dicarboxylate;molecular hydrogen
CID 143636188
ethyl 3-(2-fluoro-4-methylanilino)-2-(3-hydroxypropoxycarbamoyl)furo[3,2-c]pyridine-7-carboxylate
CID 143636044
7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid
CID 141208482
CID 88885978
CID 88885978
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate (CID 59704610) is ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2c(F)cncc2c1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is OADMIBKWTJUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3Si/c1-5-25-19(24)18-16(12-9-22-10-14(21)17(12)26-18)23-15-7-6-11(8-13(15)20)27(2,3)4/h6-10,23H,5H2,1-4H3.
What are the key properties of ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).