ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate

C15H11FIN3O3 — CID 59704595

IUPACethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1oc2ncncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C15H11FIN3O3/c1-2-22-15(21)13-12(9-6-18-7-19-14(9)23-13)20-11-4-3-8(17)5-10(11)16/h3-7,20H,2H2,1H3
InChIKeyKBWPYYQARSNBDT-UHFFFAOYSA-N
MW427.17 g/mol
LogP3.89
Rot. Bonds4

About ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate

ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 59704595) has the molecular formula C15H11FIN3O3 and a molecular weight of 427.17 g/mol. Its IUPAC name is ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
PubChem CID59704595
Molecular FormulaC15H11FIN3O3
Molecular Weight427.17 g/mol
Exact Mass426.98
IUPAC Nameethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1oc2ncncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C15H11FIN3O3/c1-2-22-15(21)13-12(9-6-18-7-19-14(9)23-13)20-11-4-3-8(17)5-10(11)16/h3-7,20H,2H2,1H3
InChIKeyKBWPYYQARSNBDT-UHFFFAOYSA-N
XLogP3.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate 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

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
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxamide
CID 59704718
ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
CID 59704736
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
ethyl 3-(2-fluoro-4-iodoanilino)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596516
CID 88885978
CID 88885978
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate
CID 87407476
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596662

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate (CID 59704595) is ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1oc2ncncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is KBWPYYQARSNBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O3/c1-2-22-15(21)13-12(9-6-18-7-19-14(9)23-13)20-11-4-3-8(17)5-10(11)16/h3-7,20H,2H2,1H3.
What are the key properties of ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 427.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 59704595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).