4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione

C13H6ClN3O4 — CID 118197517

IUPAC4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2c(Cl)ccc([N+](=O)[O-])c2C(=O)N1c1cccnc1
InChIInChI=1S/C13H6ClN3O4/c14-8-3-4-9(17(20)21)11-10(8)12(18)16(13(11)19)7-2-1-5-15-6-7/h1-6H
InChIKeyZUTZWIYHMABPGD-UHFFFAOYSA-N
MW303.66 g/mol
LogP2.44
Rot. Bonds2

About 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione

4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione (PubChem CID 118197517) has the molecular formula C13H6ClN3O4 and a molecular weight of 303.66 g/mol. Its IUPAC name is 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
PubChem CID118197517
Molecular FormulaC13H6ClN3O4
Molecular Weight303.66 g/mol
Exact Mass303.00
IUPAC Name4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2c(Cl)ccc([N+](=O)[O-])c2C(=O)N1c1cccnc1
InChIInChI=1S/C13H6ClN3O4/c14-8-3-4-9(17(20)21)11-10(8)12(18)16(13(11)19)7-2-1-5-15-6-7/h1-6H
InChIKeyZUTZWIYHMABPGD-UHFFFAOYSA-N
XLogP2.44
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
CID 118197463
4-chloro-7-nitro-2-(2-pyridin-3-ylpropan-2-yl)isoindole-1,3-dione
CID 118197483
(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18170822
4-chloro-2-[2-(2-methylbutyl)-3-pyridinyl]-7-nitroisoindole-1,3-dione
CID 144874768
4-chloro-7-nitro-2-benzofuran-1,3-dione
CID 118197522
2-(3-chloro-4-nitrophenyl)isoindole-1,3-dione
CID 168515991
3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
CID 22285183
2-(3,4-dichlorophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 86279524
8-chloro-5-nitroisoquinoline
CID 53420876
4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione
CID 141093085
4-chloro-7-nitroisoindole-1,3-dione
CID 86197598
2-chloro-3-nitro-6-pyridin-3-ylpyridine
CID 20550319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
The IUPAC name of 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione (CID 118197517) is 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione.
What is the SMILES notation for 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
The canonical SMILES for 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione is O=C1c2c(Cl)ccc([N+](=O)[O-])c2C(=O)N1c1cccnc1.
What is the InChIKey of 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
The InChIKey is ZUTZWIYHMABPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClN3O4/c14-8-3-4-9(17(20)21)11-10(8)12(18)16(13(11)19)7-2-1-5-15-6-7/h1-6H.
What are the key properties of 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione has a molecular weight of 303.66 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 118197517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).