2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione

C15H11ClN2O2 — CID 66960207

IUPAC2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
SMILESCc1ncc(Cl)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11ClN2O2/c1-9-10(6-11(16)7-17-9)8-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-7H,8H2,1H3
InChIKeyYDACSCRUCHRQBJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.84
Rot. Bonds2

About 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione

2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione (PubChem CID 66960207) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
PubChem CID66960207
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
SMILESCc1ncc(Cl)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11ClN2O2/c1-9-10(6-11(16)7-17-9)8-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-7H,8H2,1H3
InChIKeyYDACSCRUCHRQBJ-UHFFFAOYSA-N
XLogP2.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.84
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-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione (CID 66960207) is 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione is Cc1ncc(Cl)cc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione?
The InChIKey is YDACSCRUCHRQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-10(6-11(16)7-17-9)8-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione?
2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione has a molecular weight of 286.72 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 66960207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).