ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate

C17H14FIN2O3 — CID 59704736

IUPACethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccnc(C)c2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H14FIN2O3/c1-3-23-17(22)16-15(14-9(2)20-7-6-13(14)24-16)21-12-5-4-10(19)8-11(12)18/h4-8,21H,3H2,1-2H3
InChIKeyRXSRCOKOKCHLGA-UHFFFAOYSA-N
MW440.21 g/mol
LogP4.80
Rot. Bonds4

About ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate

ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate (PubChem CID 59704736) has the molecular formula C17H14FIN2O3 and a molecular weight of 440.21 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
PubChem CID59704736
Molecular FormulaC17H14FIN2O3
Molecular Weight440.21 g/mol
Exact Mass440.00
IUPAC Nameethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccnc(C)c2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H14FIN2O3/c1-3-23-17(22)16-15(14-9(2)20-7-6-13(14)24-16)21-12-5-4-10(19)8-11(12)18/h4-8,21H,3H2,1-2H3
InChIKeyRXSRCOKOKCHLGA-UHFFFAOYSA-N
XLogP4.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.21
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
CID 88885978
CID 88885978
3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 59704658
N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013799
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
ethyl 3-(2-fluoro-4-iodoanilino)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596516
ethyl 6-(2-fluoro-4-iodoanilino)-3-methyl-4-oxo-5H-furo[3,2-c]pyridine-7-carboxylate
CID 141423481
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate (CID 59704736) is ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2ccnc(C)c2c1Nc1ccc(I)cc1F.
What is the InChIKey of ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate?
The InChIKey is RXSRCOKOKCHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FIN2O3/c1-3-23-17(22)16-15(14-9(2)20-7-6-13(14)24-16)21-12-5-4-10(19)8-11(12)18/h4-8,21H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate?
ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate has a molecular weight of 440.21 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).