3-(2-fluoro-4-pyridinyl)-1H-isoindole

C13H9FN2 — CID 157451126

IUPAC3-(2-fluoro-4-pyridinyl)-1H-isoindole
SMILESFc1cc(C2=NCc3ccccc32)ccn1
InChIInChI=1S/C13H9FN2/c14-12-7-9(5-6-15-12)13-11-4-2-1-3-10(11)8-16-13/h1-7H,8H2
InChIKeyGOCKGYFVTIZTPI-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.57
Rot. Bonds1

About 3-(2-fluoro-4-pyridinyl)-1H-isoindole

3-(2-fluoro-4-pyridinyl)-1H-isoindole (PubChem CID 157451126) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-1H-isoindole.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-1H-isoindole
PubChem CID157451126
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name3-(2-fluoro-4-pyridinyl)-1H-isoindole
SMILESFc1cc(C2=NCc3ccccc32)ccn1
InChIInChI=1S/C13H9FN2/c14-12-7-9(5-6-15-12)13-11-4-2-1-3-10(11)8-16-13/h1-7H,8H2
InChIKeyGOCKGYFVTIZTPI-UHFFFAOYSA-N
XLogP2.57
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-1H-isoindole?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-1H-isoindole (CID 157451126) is 3-(2-fluoro-4-pyridinyl)-1H-isoindole.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-1H-isoindole?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-1H-isoindole is Fc1cc(C2=NCc3ccccc32)ccn1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-1H-isoindole?
The InChIKey is GOCKGYFVTIZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-12-7-9(5-6-15-12)13-11-4-2-1-3-10(11)8-16-13/h1-7H,8H2.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-1H-isoindole?
3-(2-fluoro-4-pyridinyl)-1H-isoindole has a molecular weight of 212.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-1H-isoindole is sourced from PubChem (CID 157451126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).