2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C13H10ClFN2O2 — CID 134114109

IUPAC2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c(F)n1
InChIInChI=1S/C13H10ClFN2O2/c14-9-5-6-10(16-11(9)15)17-12(18)7-3-1-2-4-8(7)13(17)19/h5-6H,1-4H2
InChIKeyFJNBVWLKBSBTLH-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.62
Rot. Bonds1

About 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 134114109) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID134114109
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c(F)n1
InChIInChI=1S/C13H10ClFN2O2/c14-9-5-6-10(16-11(9)15)17-12(18)7-3-1-2-4-8(7)13(17)19/h5-6H,1-4H2
InChIKeyFJNBVWLKBSBTLH-UHFFFAOYSA-N
XLogP2.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 134114109) is 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c(F)n1.
What is the InChIKey of 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is FJNBVWLKBSBTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-9-5-6-10(16-11(9)15)17-12(18)7-3-1-2-4-8(7)13(17)19/h5-6H,1-4H2.
What are the key properties of 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 280.69 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 134114109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).