5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid

C11H7FN2O4 — CID 114585791

IUPAC5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
SMILESO=C(O)c1cc(F)ccc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C11H7FN2O4/c12-6-1-2-8(7(3-6)11(16)17)18-10-4-9(15)13-5-14-10/h1-5H,(H,16,17)(H,13,14,15)
InChIKeyMQSUHQIOORMEJC-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.40
Rot. Bonds3

About 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid

5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid (PubChem CID 114585791) has the molecular formula C11H7FN2O4 and a molecular weight of 250.19 g/mol. Its IUPAC name is 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
PubChem CID114585791
Molecular FormulaC11H7FN2O4
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
SMILESO=C(O)c1cc(F)ccc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C11H7FN2O4/c12-6-1-2-8(7(3-6)11(16)17)18-10-4-9(15)13-5-14-10/h1-5H,(H,16,17)(H,13,14,15)
InChIKeyMQSUHQIOORMEJC-UHFFFAOYSA-N
XLogP1.40
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 114578605
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
(6-oxo-1H-pyrimidin-4-yl) trifluoromethanesulfonate
CID 146482957
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
CID 115298212
5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
CID 113281429
5-fluoro-2-nonoxybenzoic acid
CID 115297915

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid?
The IUPAC name of 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid (CID 114585791) is 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid is O=C(O)c1cc(F)ccc1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid?
The InChIKey is MQSUHQIOORMEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O4/c12-6-1-2-8(7(3-6)11(16)17)18-10-4-9(15)13-5-14-10/h1-5H,(H,16,17)(H,13,14,15).
What are the key properties of 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid?
5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid has a molecular weight of 250.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid is sourced from PubChem (CID 114585791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).