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

C19H20BrFN2O3Si — CID 59704575

IUPACethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(Br)cncc2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C19H20BrFN2O3Si/c1-5-25-19(24)18-16(12-9-22-10-13(20)17(12)26-18)23-15-7-6-11(8-14(15)21)27(2,3)4/h6-10,23H,5H2,1-4H3
InChIKeyLLGMGBPYKVYQSO-UHFFFAOYSA-N
MW451.37 g/mol
LogP5.19
Rot. Bonds5

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

ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 59704575) has the molecular formula C19H20BrFN2O3Si and a molecular weight of 451.37 g/mol. Its IUPAC name is ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID59704575
Molecular FormulaC19H20BrFN2O3Si
Molecular Weight451.37 g/mol
Exact Mass450.04
IUPAC Nameethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(Br)cncc2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C19H20BrFN2O3Si/c1-5-25-19(24)18-16(12-9-22-10-13(20)17(12)26-18)23-15-7-6-11(8-14(15)21)27(2,3)4/h6-10,23H,5H2,1-4H3
InChIKeyLLGMGBPYKVYQSO-UHFFFAOYSA-N
XLogP5.19
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-aminofuro[3,2-c]pyridine-2-carboxylate
CID 23731217
[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 25011842
(3-(4-Bromo-2,5-difluorophenylamino)furo[3,2-c]pyridin-2-yl)((r)-3-hydroxypyrrolidin-1-yl)methanone
CID 25011843
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013982
(2-Hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 25013983
7-Bromo-3-(2-fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)amide
CID 59704555
Ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
CID 59704556
7-Fluoro-3-(2-fluoro-4-iodophenylamino)-furo[3,2-c]pyridine-2-carboxylic acid
CID 59704558
7-Fluoro-3-(2-fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ethyl ester
CID 59704563
7-Bromo-3-(2-fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid
CID 59704567
3-(2-Fluoro-4-methoxy-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ethyl ester
CID 59704570

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate (CID 59704575) is ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2c(Br)cncc2c1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is LLGMGBPYKVYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3Si/c1-5-25-19(24)18-16(12-9-22-10-13(20)17(12)26-18)23-15-7-6-11(8-14(15)21)27(2,3)4/h6-10,23H,5H2,1-4H3.
What are the key properties of ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 451.37 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).