6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium

C14H9FN2NaO6 — CID 86737613

IUPAC—
SMILESCCn1c(=O)c2c(O)c([N+](=O)[O-])c(=O)oc2c2cc(F)ccc21.[Na]
InChIInChI=1S/C14H9FN2O6.Na/c1-2-16-8-4-3-6(15)5-7(8)12-9(13(16)19)11(18)10(17(21)22)14(20)23-12;/h3-5,18H,2H2,1H3;
InChIKeyATUHEDLLBGBBIH-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.50
Rot. Bonds2

About 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium

6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium (PubChem CID 86737613) has the molecular formula C14H9FN2NaO6 and a molecular weight of 343.22 g/mol.

Molecular Properties

Compound Name6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium
PubChem CID86737613
Molecular FormulaC14H9FN2NaO6
Molecular Weight343.22 g/mol
Exact Mass343.03
IUPAC Name—
SMILESCCn1c(=O)c2c(O)c([N+](=O)[O-])c(=O)oc2c2cc(F)ccc21.[Na]
InChIInChI=1S/C14H9FN2O6.Na/c1-2-16-8-4-3-6(15)5-7(8)12-9(13(16)19)11(18)10(17(21)22)14(20)23-12;/h3-5,18H,2H2,1H3;
InChIKeyATUHEDLLBGBBIH-UHFFFAOYSA-N
XLogP1.50
TPSA115.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium?
The IUPAC name of 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium (CID 86737613) is not available.
What is the SMILES notation for 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium?
The canonical SMILES for 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium is CCn1c(=O)c2c(O)c([N+](=O)[O-])c(=O)oc2c2cc(F)ccc21.[Na].
What is the InChIKey of 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium?
The InChIKey is ATUHEDLLBGBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O6.Na/c1-2-16-8-4-3-6(15)5-7(8)12-9(13(16)19)11(18)10(17(21)22)14(20)23-12;/h3-5,18H,2H2,1H3;.
What are the key properties of 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium?
6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium has a molecular weight of 343.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium is sourced from PubChem (CID 86737613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).