5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine

C9H8FIN2 — CID 174031450

IUPAC5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
SMILESC[C@H](I)n1ccc2cc(F)cnc21
InChIInChI=1S/C9H8FIN2/c1-6(11)13-3-2-7-4-8(10)5-12-9(7)13/h2-6H,1H3/t6-/m1/s1
InChIKeyZLEIOBVVMGLMCP-ZCFIWIBFSA-N
MW290.08 g/mol
LogP3.13
Rot. Bonds1

About 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine

5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine (PubChem CID 174031450) has the molecular formula C9H8FIN2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
PubChem CID174031450
Molecular FormulaC9H8FIN2
Molecular Weight290.08 g/mol
Exact Mass289.97
IUPAC Name5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
SMILESC[C@H](I)n1ccc2cc(F)cnc21
InChIInChI=1S/C9H8FIN2/c1-6(11)13-3-2-7-4-8(10)5-12-9(7)13/h2-6H,1H3/t6-/m1/s1
InChIKeyZLEIOBVVMGLMCP-ZCFIWIBFSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine (CID 174031450) is 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine is C[C@H](I)n1ccc2cc(F)cnc21.
What is the InChIKey of 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine?
The InChIKey is ZLEIOBVVMGLMCP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8FIN2/c1-6(11)13-3-2-7-4-8(10)5-12-9(7)13/h2-6H,1H3/t6-/m1/s1.
What are the key properties of 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine?
5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine has a molecular weight of 290.08 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174031450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).