(2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate

C14H7F2NO7 — CID 56927770

IUPAC(2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cc2cc(F)c(O)c(F)c2oc1=O
InChIInChI=1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2
InChIKeyNZYXABPVYJRICY-UHFFFAOYSA-N
MW339.21 g/mol
LogP1.00
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate (PubChem CID 56927770) has the molecular formula C14H7F2NO7 and a molecular weight of 339.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate
PubChem CID56927770
Molecular FormulaC14H7F2NO7
Molecular Weight339.21 g/mol
Exact Mass339.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cc2cc(F)c(O)c(F)c2oc1=O
InChIInChI=1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2
InChIKeyNZYXABPVYJRICY-UHFFFAOYSA-N
XLogP1.00
TPSA114.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(6,8-difluoro-7-hydroxy-2-oxochromen-3-yl)-4-oxobutanoate
CID 160825064
(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate
CID 98464286
6,8-difluoro-7-hydroxy-3-propan-2-ylchromen-2-one
CID 130353462
6,8-difluoro-7-hydroxy-2-oxo-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]chromene-3-carboxamide
CID 118289672
6,8-difluoro-7-hydroxy-2-oxo-N-[(2S,3S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]chromene-3-carboxamide
CID 123155556
(2,5-dioxopyrrolidin-1-yl) 7-acetyloxy-2-oxo-3-thiophen-2-ylchromene-6-carboxylate
CID 88872215
(2,5-dioxopyrrolidin-1-yl) 2-[2-(7-acetyloxy-6-chloro-8-fluoro-2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetate
CID 58571975
(2,5-dioxopyrrolidin-1-yl) 3-chloro-5-fluorobenzoate
CID 155923584
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
CID 11334130
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate (CID 56927770) is (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate is O=C(ON1C(=O)CCC1=O)c1cc2cc(F)c(O)c(F)c2oc1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate?
The InChIKey is NZYXABPVYJRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate has a molecular weight of 339.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 56927770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).