3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

C14H9FIN3O2 — CID 25013307

IUPAC3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H9FIN3O2/c15-9-5-7(16)1-2-10(9)19-12-8-6-18-4-3-11(8)21-13(12)14(17)20/h1-6,19H,(H2,17,20)
InChIKeyNQLZZEUXDAVRBP-UHFFFAOYSA-N
MW397.15 g/mol
LogP3.41
Rot. Bonds3

About 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25013307) has the molecular formula C14H9FIN3O2 and a molecular weight of 397.15 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25013307
Molecular FormulaC14H9FIN3O2
Molecular Weight397.15 g/mol
Exact Mass396.97
IUPAC Name3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H9FIN3O2/c15-9-5-7(16)1-2-10(9)19-12-8-6-18-4-3-11(8)21-13(12)14(17)20/h1-6,19H,(H2,17,20)
InChIKeyNQLZZEUXDAVRBP-UHFFFAOYSA-N
XLogP3.41
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.15
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 25013307) is 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is NC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is NQLZZEUXDAVRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FIN3O2/c15-9-5-7(16)1-2-10(9)19-12-8-6-18-4-3-11(8)21-13(12)14(17)20/h1-6,19H,(H2,17,20).
What are the key properties of 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 397.15 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).