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

C16H11F2IN2O3 — CID 59704563

IUPACethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H11F2IN2O3/c1-2-23-16(22)15-13(9-6-20-7-11(18)14(9)24-15)21-12-4-3-8(19)5-10(12)17/h3-7,21H,2H2,1H3
InChIKeyYEOIHKISLYUZEQ-UHFFFAOYSA-N
MW444.18 g/mol
LogP4.63
Rot. Bonds4

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

ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 59704563) has the molecular formula C16H11F2IN2O3 and a molecular weight of 444.18 g/mol. Its IUPAC name is ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID59704563
Molecular FormulaC16H11F2IN2O3
Molecular Weight444.18 g/mol
Exact Mass443.98
IUPAC Nameethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H11F2IN2O3/c1-2-23-16(22)15-13(9-6-20-7-11(18)14(9)24-15)21-12-4-3-8(19)5-10(12)17/h3-7,21H,2H2,1H3
InChIKeyYEOIHKISLYUZEQ-UHFFFAOYSA-N
XLogP4.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.18
LogP ≤ 54.63
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 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
[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-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
CID 59704736
3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
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-chloro-3-(2-fluoro-4-iodoanilino)-N-[(3S)-pyrrolidin-3-yl]oxyfuro[3,2-c]pyridine-2-carboxamide
CID 59704746
CID 88885978
CID 88885978
ethyl 3-(2-fluoro-4-iodoanilino)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596516

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate (CID 59704563) is ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is YEOIHKISLYUZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2IN2O3/c1-2-23-16(22)15-13(9-6-20-7-11(18)14(9)24-15)21-12-4-3-8(19)5-10(12)17/h3-7,21H,2H2,1H3.
What are the key properties of ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 444.18 g/mol, XLogP of 4.63, 4 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-iodoanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).