2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide

C14H9FIN3OS — CID 24739540

IUPAC2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C14H9FIN3OS/c15-9-6-7(16)3-4-10(9)19-14-11(12(17)20)8-2-1-5-18-13(8)21-14/h1-6,19H,(H2,17,20)
InChIKeyLKAZWKLUOLTFBV-UHFFFAOYSA-N
MW413.22 g/mol
LogP3.88
Rot. Bonds3

About 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide (PubChem CID 24739540) has the molecular formula C14H9FIN3OS and a molecular weight of 413.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
PubChem CID24739540
Molecular FormulaC14H9FIN3OS
Molecular Weight413.22 g/mol
Exact Mass412.95
IUPAC Name2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C14H9FIN3OS/c15-9-6-7(16)3-4-10(9)19-14-11(12(17)20)8-2-1-5-18-13(8)21-14/h1-6,19H,(H2,17,20)
InChIKeyLKAZWKLUOLTFBV-UHFFFAOYSA-N
XLogP3.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 53.88
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 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide (CID 24739540) is 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide is NC(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is LKAZWKLUOLTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FIN3OS/c15-9-6-7(16)3-4-10(9)19-14-11(12(17)20)8-2-1-5-18-13(8)21-14/h1-6,19H,(H2,17,20).
What are the key properties of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 413.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 24739540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).