5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine

C13H8FIN2 — CID 67959765

IUPAC5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine
SMILESFc1ccccc1-c1ccc2[nH]cc(I)c2n1
InChIInChI=1S/C13H8FIN2/c14-9-4-2-1-3-8(9)11-5-6-12-13(17-11)10(15)7-16-12/h1-7,16H
InChIKeyDJEFWWYXJPTBEU-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.97
Rot. Bonds1

About 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine

5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine (PubChem CID 67959765) has the molecular formula C13H8FIN2 and a molecular weight of 338.12 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine
PubChem CID67959765
Molecular FormulaC13H8FIN2
Molecular Weight338.12 g/mol
Exact Mass337.97
IUPAC Name5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine
SMILESFc1ccccc1-c1ccc2[nH]cc(I)c2n1
InChIInChI=1S/C13H8FIN2/c14-9-4-2-1-3-8(9)11-5-6-12-13(17-11)10(15)7-16-12/h1-7,16H
InChIKeyDJEFWWYXJPTBEU-UHFFFAOYSA-N
XLogP3.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine (CID 67959765) is 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine is Fc1ccccc1-c1ccc2[nH]cc(I)c2n1.
What is the InChIKey of 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is DJEFWWYXJPTBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2/c14-9-4-2-1-3-8(9)11-5-6-12-13(17-11)10(15)7-16-12/h1-7,16H.
What are the key properties of 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 338.12 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67959765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).