2-fluoro-4-quinoxalin-2-yloxybenzoic acid

C15H9FN2O3 — CID 107677384

IUPAC2-fluoro-4-quinoxalin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2cnc3ccccc3n2)cc1F
InChIInChI=1S/C15H9FN2O3/c16-11-7-9(5-6-10(11)15(19)20)21-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H,(H,19,20)
InChIKeyULQQDIGVAWAIJI-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.26
Rot. Bonds3

About 2-fluoro-4-quinoxalin-2-yloxybenzoic acid

2-fluoro-4-quinoxalin-2-yloxybenzoic acid (PubChem CID 107677384) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-4-quinoxalin-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-quinoxalin-2-yloxybenzoic acid
PubChem CID107677384
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name2-fluoro-4-quinoxalin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2cnc3ccccc3n2)cc1F
InChIInChI=1S/C15H9FN2O3/c16-11-7-9(5-6-10(11)15(19)20)21-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H,(H,19,20)
InChIKeyULQQDIGVAWAIJI-UHFFFAOYSA-N
XLogP3.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
4-bromo-2-quinoxalin-2-yloxybenzoic acid
CID 62360418
4-cinnolin-4-yloxy-2-fluorobenzoic acid
CID 107677502
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
(4-quinoxalin-2-yloxyphenyl)methanol
CID 79868894
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-methyl-2-(4-quinoxalin-2-yloxyphenoxy)propanedioic acid
CID 70469262
N-(4-quinoxalin-2-yloxyphenyl)acetamide
CID 1473207
2-(4-quinoxalin-2-yloxyphenyl)ethanamine
CID 62360984
methyl 2-nitro-5-quinoxalin-2-yloxybenzoate
CID 154748559

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-quinoxalin-2-yloxybenzoic acid?
The IUPAC name of 2-fluoro-4-quinoxalin-2-yloxybenzoic acid (CID 107677384) is 2-fluoro-4-quinoxalin-2-yloxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-quinoxalin-2-yloxybenzoic acid?
The canonical SMILES for 2-fluoro-4-quinoxalin-2-yloxybenzoic acid is O=C(O)c1ccc(Oc2cnc3ccccc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-quinoxalin-2-yloxybenzoic acid?
The InChIKey is ULQQDIGVAWAIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-11-7-9(5-6-10(11)15(19)20)21-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H,(H,19,20).
What are the key properties of 2-fluoro-4-quinoxalin-2-yloxybenzoic acid?
2-fluoro-4-quinoxalin-2-yloxybenzoic acid has a molecular weight of 284.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-quinoxalin-2-yloxybenzoic acid is sourced from PubChem (CID 107677384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).