4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile

C14H10ClN3O3 — CID 167342017

IUPAC4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1Cl)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H10ClN3O3/c15-12-7(5-16)1-2-8-6-18(14(21)11(8)12)9-3-4-10(19)17-13(9)20/h1-2,9H,3-4,6H2,(H,17,19,20)
InChIKeyADMMZCLOGXPETN-UHFFFAOYSA-N
MW303.71 g/mol
LogP0.97
Rot. Bonds1

About 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile

4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile (PubChem CID 167342017) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
PubChem CID167342017
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1Cl)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H10ClN3O3/c15-12-7(5-16)1-2-8-6-18(14(21)11(8)12)9-3-4-10(19)17-13(9)20/h1-2,9H,3-4,6H2,(H,17,19,20)
InChIKeyADMMZCLOGXPETN-UHFFFAOYSA-N
XLogP0.97
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-chloro-4-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342407
2-(2,6-dioxopiperidin-3-yl)-3-oxo-7-(trifluoromethoxy)-1H-isoindole-4-carbonitrile
CID 167342394
3-(5-bromo-4-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342219
5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 167342093
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441
3-[4-bromo-5-(bromomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168871651
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile
CID 172602391
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
3-[4-bromo-3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342479
3-(4-chloro-7-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile (CID 167342017) is 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile is N#Cc1ccc2c(c1Cl)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile?
The InChIKey is ADMMZCLOGXPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-12-7(5-16)1-2-8-6-18(14(21)11(8)12)9-3-4-10(19)17-13(9)20/h1-2,9H,3-4,6H2,(H,17,19,20).
What are the key properties of 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile?
4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile has a molecular weight of 303.71 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile is sourced from PubChem (CID 167342017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).