(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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Related Compounds

(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate
CID 70572862
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 70563744
[6,7-difluoro-1-(2-fluoroethyl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 87957353
5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 70566888
methyl 5-carboxyoxy-1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
CID 129018252
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate
CID 68799266
[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 68562118
2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one
CID 59818302
(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847624

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).