(2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate

C18H16FIN2O4 — CID 25013983

IUPAC(2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCC(C)(O)COC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H16FIN2O4/c1-18(2,24)9-25-17(23)16-15(11-8-21-6-5-14(11)26-16)22-13-4-3-10(20)7-12(13)19/h3-8,22,24H,9H2,1-2H3
InChIKeyJOCYAIGCBRVDKD-UHFFFAOYSA-N
MW470.24 g/mol
LogP4.24
Rot. Bonds5

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

(2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 25013983) has the molecular formula C18H16FIN2O4 and a molecular weight of 470.24 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID25013983
Molecular FormulaC18H16FIN2O4
Molecular Weight470.24 g/mol
Exact Mass470.01
IUPAC Name(2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCC(C)(O)COC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H16FIN2O4/c1-18(2,24)9-25-17(23)16-15(11-8-21-6-5-14(11)26-16)22-13-4-3-10(20)7-12(13)19/h3-8,22,24H,9H2,1-2H3
InChIKeyJOCYAIGCBRVDKD-UHFFFAOYSA-N
XLogP4.24
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.24
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate (CID 25013983) is (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate is CC(C)(O)COC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is JOCYAIGCBRVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FIN2O4/c1-18(2,24)9-25-17(23)16-15(11-8-21-6-5-14(11)26-16)22-13-4-3-10(20)7-12(13)19/h3-8,22,24H,9H2,1-2H3.
What are the key properties of (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate?
(2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 470.24 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl) 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 25013983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).