7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one

C20H12N2O5 — CID 134045192

IUPAC7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cc(Oc3ncccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C20H12N2O5/c23-19-15-9-8-14(27-20-17(22(24)25)7-4-10-21-20)11-18(15)26-12-16(19)13-5-2-1-3-6-13/h1-12H
InChIKeyAPTJSXXOFPGDLG-UHFFFAOYSA-N
MW360.33 g/mol
LogP4.56
Rot. Bonds4

About 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one

7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one (PubChem CID 134045192) has the molecular formula C20H12N2O5 and a molecular weight of 360.33 g/mol. Its IUPAC name is 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
PubChem CID134045192
Molecular FormulaC20H12N2O5
Molecular Weight360.33 g/mol
Exact Mass360.07
IUPAC Name7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cc(Oc3ncccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C20H12N2O5/c23-19-15-9-8-14(27-20-17(22(24)25)7-4-10-21-20)11-18(15)26-12-16(19)13-5-2-1-3-6-13/h1-12H
InChIKeyAPTJSXXOFPGDLG-UHFFFAOYSA-N
XLogP4.56
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(4-oxo-3-phenylchromen-7-yl) 4-methyl-3-nitrobenzenesulfonate
CID 55509201
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one
CID 9353691
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
(4-oxo-3-phenylchromen-7-yl) 3-methyl-2-nitrobenzoate
CID 8912910
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
7-methyl-3-(2-nitrophenyl)chromen-4-one
CID 11289009
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250

Frequently Asked Questions

What is the IUPAC name of 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one (CID 134045192) is 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one is O=c1c(-c2ccccc2)coc2cc(Oc3ncccc3[N+](=O)[O-])ccc12.
What is the InChIKey of 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
The InChIKey is APTJSXXOFPGDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O5/c23-19-15-9-8-14(27-20-17(22(24)25)7-4-10-21-20)11-18(15)26-12-16(19)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one has a molecular weight of 360.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one is sourced from PubChem (CID 134045192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).