7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione

C8H5N3O4 — CID 118703417

IUPAC7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
SMILESO=c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2[nH]1
InChIInChI=1S/C8H5N3O4/c12-6-2-1-4-7(10-6)8(13)5(3-9-4)11(14)15/h1-3H,(H,9,13)(H,10,12)
InChIKeyBXDDZNZTAWJANG-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.12
Rot. Bonds1

About 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione

7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione (PubChem CID 118703417) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione.

Molecular Properties

Compound Name7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
PubChem CID118703417
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
SMILESO=c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2[nH]1
InChIInChI=1S/C8H5N3O4/c12-6-2-1-4-7(10-6)8(13)5(3-9-4)11(14)15/h1-3H,(H,9,13)(H,10,12)
InChIKeyBXDDZNZTAWJANG-UHFFFAOYSA-N
XLogP0.12
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione?
The IUPAC name of 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione (CID 118703417) is 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione.
What is the SMILES notation for 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione?
The canonical SMILES for 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione is O=c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2[nH]1.
What is the InChIKey of 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione?
The InChIKey is BXDDZNZTAWJANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-6-2-1-4-7(10-6)8(13)5(3-9-4)11(14)15/h1-3H,(H,9,13)(H,10,12).
What are the key properties of 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione?
7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione has a molecular weight of 207.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione is sourced from PubChem (CID 118703417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).