ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate

C17H14FIN2O4 — CID 141423481

IUPACethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(I)cc2F)[nH]c(=O)c2c(C)coc12
InChIInChI=1S/C17H14FIN2O4/c1-3-24-17(23)13-14-12(8(2)7-25-14)16(22)21-15(13)20-11-5-4-9(19)6-10(11)18/h4-7H,3H2,1-2H3,(H2,20,21,22)
InChIKeyCRJHILLCWWJESE-UHFFFAOYSA-N
MW456.21 g/mol
LogP4.09
Rot. Bonds4

About ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate

ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate (PubChem CID 141423481) has the molecular formula C17H14FIN2O4 and a molecular weight of 456.21 g/mol. Its IUPAC name is ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate
PubChem CID141423481
Molecular FormulaC17H14FIN2O4
Molecular Weight456.21 g/mol
Exact Mass456.00
IUPAC Nameethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(I)cc2F)[nH]c(=O)c2c(C)coc12
InChIInChI=1S/C17H14FIN2O4/c1-3-24-17(23)13-14-12(8(2)7-25-14)16(22)21-15(13)20-11-5-4-9(19)6-10(11)18/h4-7H,3H2,1-2H3,(H2,20,21,22)
InChIKeyCRJHILLCWWJESE-UHFFFAOYSA-N
XLogP4.09
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate with MolForge

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Related Compounds

5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
CID 68785672
ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
CID 59704736
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 6-cyano-2-(2-fluoro-4-iodoanilino)-5-methylpyridine-3-carboxylate
CID 141427172
ethyl 3-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1H-1,2,4-triazole-5-carboxylate
CID 59026787
ethyl 6-iodo-3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 138973630
ethyl 2-[(2-fluoro-4-iodophenyl)methyl]-7-oxo-1,4,5,6-tetrahydroindole-3-carboxylate
CID 59865175
ethyl 2-chloro-6-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2H-pyridine-5-carboxylate
CID 141242231
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
CID 86731085
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 174235320

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate (CID 141423481) is ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate is CCOC(=O)c1c(Nc2ccc(I)cc2F)[nH]c(=O)c2c(C)coc12.
What is the InChIKey of ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate?
The InChIKey is CRJHILLCWWJESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FIN2O4/c1-3-24-17(23)13-14-12(8(2)7-25-14)16(22)21-15(13)20-11-5-4-9(19)6-10(11)18/h4-7H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate?
ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate has a molecular weight of 456.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 141423481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).