(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate

C13H10N2O6 — CID 88769690

IUPAC(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate
SMILESC=CCn1cc(OC(=O)O)c(=O)c2cc(O)c(C=O)nc21
InChIInChI=1S/C13H10N2O6/c1-2-3-15-5-10(21-13(19)20)11(18)7-4-9(17)8(6-16)14-12(7)15/h2,4-6,17H,1,3H2,(H,19,20)
InChIKeyOTMGYPVUHHATOF-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.16
Rot. Bonds4

About (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate

(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate (PubChem CID 88769690) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate
PubChem CID88769690
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate
SMILESC=CCn1cc(OC(=O)O)c(=O)c2cc(O)c(C=O)nc21
InChIInChI=1S/C13H10N2O6/c1-2-3-15-5-10(21-13(19)20)11(18)7-4-9(17)8(6-16)14-12(7)15/h2,4-6,17H,1,3H2,(H,19,20)
InChIKeyOTMGYPVUHHATOF-UHFFFAOYSA-N
XLogP1.16
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate?
The IUPAC name of (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate (CID 88769690) is (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate.
What is the SMILES notation for (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate?
The canonical SMILES for (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate is C=CCn1cc(OC(=O)O)c(=O)c2cc(O)c(C=O)nc21.
What is the InChIKey of (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate?
The InChIKey is OTMGYPVUHHATOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c1-2-3-15-5-10(21-13(19)20)11(18)7-4-9(17)8(6-16)14-12(7)15/h2,4-6,17H,1,3H2,(H,19,20).
What are the key properties of (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate?
(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate has a molecular weight of 290.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate is sourced from PubChem (CID 88769690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).