9-nitropyrido[3,2-a]phenoxazin-5-one

C15H7N3O4 — CID 11808496

IUPAC9-nitropyrido[3,2-a]phenoxazin-5-one
SMILESO=c1cc2oc3cc([N+](=O)[O-])ccc3nc-2c2cccnc12
InChIInChI=1S/C15H7N3O4/c19-11-7-13-15(9-2-1-5-16-14(9)11)17-10-4-3-8(18(20)21)6-12(10)22-13/h1-7H
InChIKeyDBIIHGMBJSDAKQ-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.75
Rot. Bonds1

About 9-nitropyrido[3,2-a]phenoxazin-5-one

9-nitropyrido[3,2-a]phenoxazin-5-one (PubChem CID 11808496) has the molecular formula C15H7N3O4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 9-nitropyrido[3,2-a]phenoxazin-5-one.

Molecular Properties

Compound Name9-nitropyrido[3,2-a]phenoxazin-5-one
PubChem CID11808496
Molecular FormulaC15H7N3O4
Molecular Weight293.24 g/mol
Exact Mass293.04
IUPAC Name9-nitropyrido[3,2-a]phenoxazin-5-one
SMILESO=c1cc2oc3cc([N+](=O)[O-])ccc3nc-2c2cccnc12
InChIInChI=1S/C15H7N3O4/c19-11-7-13-15(9-2-1-5-16-14(9)11)17-10-4-3-8(18(20)21)6-12(10)22-13/h1-7H
InChIKeyDBIIHGMBJSDAKQ-UHFFFAOYSA-N
XLogP2.75
TPSA99.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.75
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-nitropyrido[3,2-a]phenoxazin-5-one?
The IUPAC name of 9-nitropyrido[3,2-a]phenoxazin-5-one (CID 11808496) is 9-nitropyrido[3,2-a]phenoxazin-5-one.
What is the SMILES notation for 9-nitropyrido[3,2-a]phenoxazin-5-one?
The canonical SMILES for 9-nitropyrido[3,2-a]phenoxazin-5-one is O=c1cc2oc3cc([N+](=O)[O-])ccc3nc-2c2cccnc12.
What is the InChIKey of 9-nitropyrido[3,2-a]phenoxazin-5-one?
The InChIKey is DBIIHGMBJSDAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N3O4/c19-11-7-13-15(9-2-1-5-16-14(9)11)17-10-4-3-8(18(20)21)6-12(10)22-13/h1-7H.
What are the key properties of 9-nitropyrido[3,2-a]phenoxazin-5-one?
9-nitropyrido[3,2-a]phenoxazin-5-one has a molecular weight of 293.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitropyrido[3,2-a]phenoxazin-5-one is sourced from PubChem (CID 11808496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).