5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one

C15H12N2O4 — CID 133486366

IUPAC5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
SMILESCc1nc(Oc2ccc3c(c2)CCC3=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O4/c1-9-13(17(19)20)5-7-15(16-9)21-11-3-4-12-10(8-11)2-6-14(12)18/h3-5,7-8H,2,6H2,1H3
InChIKeyGEJNEYWWMNKVEP-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.22
Rot. Bonds3

About 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one

5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one (PubChem CID 133486366) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
PubChem CID133486366
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
SMILESCc1nc(Oc2ccc3c(c2)CCC3=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O4/c1-9-13(17(19)20)5-7-15(16-9)21-11-3-4-12-10(8-11)2-6-14(12)18/h3-5,7-8H,2,6H2,1H3
InChIKeyGEJNEYWWMNKVEP-UHFFFAOYSA-N
XLogP3.22
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.22
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'}

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Related Compounds

5-(4,5-dimethoxy-2-nitrophenoxy)-2,3-dihydroinden-1-one
CID 133486449
6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
5-(4-methylsulfonyl-2-nitrophenoxy)-2,3-dihydroinden-1-one
CID 133486345
5-[(3-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
CID 133486350
5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one
CID 133486464
5-[(3-bromo-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
CID 133486479
3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
CID 155268546
6-(2-iodophenoxy)-2-methyl-3-nitropyridine
CID 80718939
2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
CID 133476968
ethyl 2-[4-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2-(trifluoromethyl)anilino]acetate
CID 143481972
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
5-[(3-nitrophenyl)methoxy]-2,3-dihydroinden-1-one
CID 104982102

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one (CID 133486366) is 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one is Cc1nc(Oc2ccc3c(c2)CCC3=O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one?
The InChIKey is GEJNEYWWMNKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-13(17(19)20)5-7-15(16-9)21-11-3-4-12-10(8-11)2-6-14(12)18/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one?
5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one has a molecular weight of 284.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 133486366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).