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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Related Compounds

Phthalimide, N-3-pyridyl-
CID 167793
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
N-(4-chloro-2-fluorophenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2683544
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 45110136
(E)-4-chloro-3-(2-oxo-2-(pyridin-4-yl)ethylidene)indolin-2-one
CID 54582755
3-Oxo-2-(2-(pyridin-2-yl)ethyl)isoindoline-4-carboxamide
CID 73774807
2-[5-(4-Acetyl-piperazin-1-yl)-pyridin-3-yl]-5-chloro-3,3-dimethyl-2,3-dihydro-isoindol-1-one
CID 86686014
3-benzyl-5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599882
5-chloro-3-methyl-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599943
5-Chloro-3,3-dimethyl-2-pyridin-3-ylisoindol-1-one
CID 89600016
5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89600056

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).