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

C22H16FIN2O3 — CID 59704680

IUPACethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(-c3ccccc3)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C22H16FIN2O3/c1-2-28-22(27)21-19(26-18-9-8-14(24)10-17(18)23)16-12-25-11-15(20(16)29-21)13-6-4-3-5-7-13/h3-12,26H,2H2,1H3
InChIKeyLAPANZLBYWWVSI-UHFFFAOYSA-N
MW502.28 g/mol
LogP6.16
Rot. Bonds5

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

ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate (PubChem CID 59704680) has the molecular formula C22H16FIN2O3 and a molecular weight of 502.28 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
PubChem CID59704680
Molecular FormulaC22H16FIN2O3
Molecular Weight502.28 g/mol
Exact Mass502.02
IUPAC Nameethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2c(-c3ccccc3)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C22H16FIN2O3/c1-2-28-22(27)21-19(26-18-9-8-14(24)10-17(18)23)16-12-25-11-15(20(16)29-21)13-6-4-3-5-7-13/h3-12,26H,2H2,1H3
InChIKeyLAPANZLBYWWVSI-UHFFFAOYSA-N
XLogP6.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.28
LogP ≤ 56.16
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 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
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
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
CID 59704736
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
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-methylanilino)-2-(3-hydroxypropoxycarbamoyl)furo[3,2-c]pyridine-7-carboxylate
CID 143636044
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
7-chloro-3-(2-fluoro-4-iodoanilino)-N-[(3S)-pyrrolidin-3-yl]oxyfuro[3,2-c]pyridine-2-carboxamide
CID 59704746

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate (CID 59704680) is ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2c(-c3ccccc3)cncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate?
The InChIKey is LAPANZLBYWWVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FIN2O3/c1-2-28-22(27)21-19(26-18-9-8-14(24)10-17(18)23)16-12-25-11-15(20(16)29-21)13-6-4-3-5-7-13/h3-12,26H,2H2,1H3.
What are the key properties of ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate?
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate has a molecular weight of 502.28 g/mol, XLogP of 6.16, 5 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)-7-phenylfuro[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).