2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid

C23H17FN2O4 — CID 51347039

IUPAC2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
SMILESO=C1NC(c2ccccc2)=C(c2ccccc2)C(c2cc(O)c(C(=O)O)c(F)c2)N1
InChIInChI=1S/C23H17FN2O4/c24-16-11-15(12-17(27)19(16)22(28)29)21-18(13-7-3-1-4-8-13)20(25-23(30)26-21)14-9-5-2-6-10-14/h1-12,21,27H,(H,28,29)(H2,25,26,30)
InChIKeyYGUFBVGTCSVOPX-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.15
Rot. Bonds4

About 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid

2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid (PubChem CID 51347039) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
PubChem CID51347039
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
SMILESO=C1NC(c2ccccc2)=C(c2ccccc2)C(c2cc(O)c(C(=O)O)c(F)c2)N1
InChIInChI=1S/C23H17FN2O4/c24-16-11-15(12-17(27)19(16)22(28)29)21-18(13-7-3-1-4-8-13)20(25-23(30)26-21)14-9-5-2-6-10-14/h1-12,21,27H,(H,28,29)(H2,25,26,30)
InChIKeyYGUFBVGTCSVOPX-UHFFFAOYSA-N
XLogP4.15
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
The IUPAC name of 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid (CID 51347039) is 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
The canonical SMILES for 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid is O=C1NC(c2ccccc2)=C(c2ccccc2)C(c2cc(O)c(C(=O)O)c(F)c2)N1.
What is the InChIKey of 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
The InChIKey is YGUFBVGTCSVOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c24-16-11-15(12-17(27)19(16)22(28)29)21-18(13-7-3-1-4-8-13)20(25-23(30)26-21)14-9-5-2-6-10-14/h1-12,21,27H,(H,28,29)(H2,25,26,30).
What are the key properties of 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid has a molecular weight of 404.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-4-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid is sourced from PubChem (CID 51347039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).