2-methylisoindole-1,3-dione;pyridine

C14H12N2O2 — CID 174877202

IUPAC2-methylisoindole-1,3-dione;pyridine
SMILESCN1C(=O)c2ccccc2C1=O.c1ccncc1
InChIInChI=1S/C9H7NO2.C5H5N/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-2-4-6-5-3-1/h2-5H,1H3;1-5H
InChIKeyMFNZNCRRPMGGTK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.99
Rot. Bonds

About 2-methylisoindole-1,3-dione;pyridine

2-methylisoindole-1,3-dione;pyridine (PubChem CID 174877202) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methylisoindole-1,3-dione;pyridine.

Molecular Properties

Compound Name2-methylisoindole-1,3-dione;pyridine
PubChem CID174877202
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-methylisoindole-1,3-dione;pyridine
SMILESCN1C(=O)c2ccccc2C1=O.c1ccncc1
InChIInChI=1S/C9H7NO2.C5H5N/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-2-4-6-5-3-1/h2-5H,1H3;1-5H
InChIKeyMFNZNCRRPMGGTK-UHFFFAOYSA-N
XLogP1.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylisoindole-1,3-dione;pyridine?
The IUPAC name of 2-methylisoindole-1,3-dione;pyridine (CID 174877202) is 2-methylisoindole-1,3-dione;pyridine.
What is the SMILES notation for 2-methylisoindole-1,3-dione;pyridine?
The canonical SMILES for 2-methylisoindole-1,3-dione;pyridine is CN1C(=O)c2ccccc2C1=O.c1ccncc1.
What is the InChIKey of 2-methylisoindole-1,3-dione;pyridine?
The InChIKey is MFNZNCRRPMGGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C5H5N/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-2-4-6-5-3-1/h2-5H,1H3;1-5H.
What are the key properties of 2-methylisoindole-1,3-dione;pyridine?
2-methylisoindole-1,3-dione;pyridine has a molecular weight of 240.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoindole-1,3-dione;pyridine is sourced from PubChem (CID 174877202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).