2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione

C14H9ClN2O2 — CID 25134265

IUPAC2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1ccnc(Cl)c1)C2=O
InChIInChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3
InChIKeyYDJMWNHJNJVVMM-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.84
Rot. Bonds1

About 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione

2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione (PubChem CID 25134265) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione
PubChem CID25134265
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1ccnc(Cl)c1)C2=O
InChIInChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3
InChIKeyYDJMWNHJNJVVMM-UHFFFAOYSA-N
XLogP2.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.84
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-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione (CID 25134265) is 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione is Cc1cccc2c1C(=O)N(c1ccnc(Cl)c1)C2=O.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione?
The InChIKey is YDJMWNHJNJVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione?
2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione has a molecular weight of 272.69 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione is sourced from PubChem (CID 25134265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).