2-fluoro-4-pyrimidin-4-yloxybenzoic acid

C11H7FN2O3 — CID 107677489

IUPAC2-fluoro-4-pyrimidin-4-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccncn2)cc1F
InChIInChI=1S/C11H7FN2O3/c12-9-5-7(1-2-8(9)11(15)16)17-10-3-4-13-6-14-10/h1-6H,(H,15,16)
InChIKeyVTRYNHFNYSRIJJ-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.11
Rot. Bonds3

About 2-fluoro-4-pyrimidin-4-yloxybenzoic acid

2-fluoro-4-pyrimidin-4-yloxybenzoic acid (PubChem CID 107677489) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-fluoro-4-pyrimidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-pyrimidin-4-yloxybenzoic acid
PubChem CID107677489
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name2-fluoro-4-pyrimidin-4-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccncn2)cc1F
InChIInChI=1S/C11H7FN2O3/c12-9-5-7(1-2-8(9)11(15)16)17-10-3-4-13-6-14-10/h1-6H,(H,15,16)
InChIKeyVTRYNHFNYSRIJJ-UHFFFAOYSA-N
XLogP2.11
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-pyrimidin-4-yloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
2-fluoro-4-quinoxalin-2-yloxybenzoic acid
CID 107677384
4-(4-pyrimidin-4-yloxybenzoyl)benzoic acid
CID 58302684
5-bromo-2-pyrimidin-4-yloxybenzoic acid
CID 107730200
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
4-(4-pyrimidin-4-yloxyphenyl)sulfonylbenzoic acid
CID 58302578
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pyrimidin-4-yloxybenzoic acid?
The IUPAC name of 2-fluoro-4-pyrimidin-4-yloxybenzoic acid (CID 107677489) is 2-fluoro-4-pyrimidin-4-yloxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-pyrimidin-4-yloxybenzoic acid?
The canonical SMILES for 2-fluoro-4-pyrimidin-4-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccncn2)cc1F.
What is the InChIKey of 2-fluoro-4-pyrimidin-4-yloxybenzoic acid?
The InChIKey is VTRYNHFNYSRIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-9-5-7(1-2-8(9)11(15)16)17-10-3-4-13-6-14-10/h1-6H,(H,15,16).
What are the key properties of 2-fluoro-4-pyrimidin-4-yloxybenzoic acid?
2-fluoro-4-pyrimidin-4-yloxybenzoic acid has a molecular weight of 234.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pyrimidin-4-yloxybenzoic acid is sourced from PubChem (CID 107677489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).