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

C16H11N3O4 — CID 118197463

IUPAC4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2c(C3CC3)ccc([N+](=O)[O-])c2C(=O)N1c1cccnc1
InChIInChI=1S/C16H11N3O4/c20-15-13-11(9-3-4-9)5-6-12(19(22)23)14(13)16(21)18(15)10-2-1-7-17-8-10/h1-2,5-9H,3-4H2
InChIKeyYANNHCBOCAIREH-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.67
Rot. Bonds3

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

4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione (PubChem CID 118197463) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
PubChem CID118197463
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2c(C3CC3)ccc([N+](=O)[O-])c2C(=O)N1c1cccnc1
InChIInChI=1S/C16H11N3O4/c20-15-13-11(9-3-4-9)5-6-12(19(22)23)14(13)16(21)18(15)10-2-1-7-17-8-10/h1-2,5-9H,3-4H2
InChIKeyYANNHCBOCAIREH-UHFFFAOYSA-N
XLogP2.67
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.67
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'}

Analyze 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
CID 118197517
4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197471
N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 118205023
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18170822
4-chloro-7-nitro-2-(2-pyridin-3-ylpropan-2-yl)isoindole-1,3-dione
CID 118197483
4-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
CID 11000528
4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione
CID 141093085
5-pyridin-3-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 91809542
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445
4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422576
(2R,6S,8R,12S)-4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 7060312

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
The IUPAC name of 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione (CID 118197463) is 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione.
What is the SMILES notation for 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
The canonical SMILES for 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione is O=C1c2c(C3CC3)ccc([N+](=O)[O-])c2C(=O)N1c1cccnc1.
What is the InChIKey of 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
The InChIKey is YANNHCBOCAIREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-15-13-11(9-3-4-9)5-6-12(19(22)23)14(13)16(21)18(15)10-2-1-7-17-8-10/h1-2,5-9H,3-4H2.
What are the key properties of 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione?
4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione has a molecular weight of 309.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 118197463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).