2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione

C14H8N2O5 — CID 132965088

IUPAC2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H8N2O5/c17-12-6-5-8(16(20)21)7-11(12)15-13(18)9-3-1-2-4-10(9)14(15)19/h1-7,17H
InChIKeyHKWVZVFGLSAEQB-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione

2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione (PubChem CID 132965088) has the molecular formula C14H8N2O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
PubChem CID132965088
Molecular FormulaC14H8N2O5
Molecular Weight284.23 g/mol
Exact Mass284.04
IUPAC Name2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H8N2O5/c17-12-6-5-8(16(20)21)7-11(12)15-13(18)9-3-1-2-4-10(9)14(15)19/h1-7,17H
InChIKeyHKWVZVFGLSAEQB-UHFFFAOYSA-N
XLogP2.10
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
2-(2-iodo-5-nitrophenyl)isoindole-1,3-dione
CID 168516776
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
CID 172816756
2-(5-hydroxynaphthalen-1-yl)-5-nitroisoindole-1,3-dione
CID 101469375
2-[3-hydroxy-4-[(2-hydroxy-4-nitrophenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 136830770
2-(2-hydroxy-4-nitrophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 17296478
2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione
CID 3412114
2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione
CID 132602346
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
6-nitro-1-phenylindole-2,3-dione
CID 2750946
2-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 6943725

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione (CID 132965088) is 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione?
The InChIKey is HKWVZVFGLSAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O5/c17-12-6-5-8(16(20)21)7-11(12)15-13(18)9-3-1-2-4-10(9)14(15)19/h1-7,17H.
What are the key properties of 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione?
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione has a molecular weight of 284.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione is sourced from PubChem (CID 132965088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).