2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C13H11FN2O3 — CID 136696424

IUPAC2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cc(O)cc(F)c2)nc2c1COCC2
InChIInChI=1S/C13H11FN2O3/c14-8-3-7(4-9(17)5-8)12-15-11-1-2-19-6-10(11)13(18)16-12/h3-5,17H,1-2,6H2,(H,15,16,18)
InChIKeyQHOSVKNVLFBOMZ-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.35
Rot. Bonds1

About 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696424) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696424
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cc(O)cc(F)c2)nc2c1COCC2
InChIInChI=1S/C13H11FN2O3/c14-8-3-7(4-9(17)5-8)12-15-11-1-2-19-6-10(11)13(18)16-12/h3-5,17H,1-2,6H2,(H,15,16,18)
InChIKeyQHOSVKNVLFBOMZ-UHFFFAOYSA-N
XLogP1.35
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-5-fluorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696441
3-[4-(ethylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-5-fluorophenol
CID 106472699
2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696454
2-(3-ethoxy-4-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696455
2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 137000727
2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696469
2-pyridin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696261
2-(2-bromo-5-chlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696485
2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982286
2-(2,3-dimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696451
2-(1-methylimidazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696378
2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136765463

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696424) is 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cc(O)cc(F)c2)nc2c1COCC2.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is QHOSVKNVLFBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-8-3-7(4-9(17)5-8)12-15-11-1-2-19-6-10(11)13(18)16-12/h3-5,17H,1-2,6H2,(H,15,16,18).
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 262.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-hydroxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).