4-bromo-2-quinoxalin-2-yloxybenzoic acid

C15H9BrN2O3 — CID 62360418

IUPAC4-bromo-2-quinoxalin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1cnc2ccccc2n1
InChIInChI=1S/C15H9BrN2O3/c16-9-5-6-10(15(19)20)13(7-9)21-14-8-17-11-3-1-2-4-12(11)18-14/h1-8H,(H,19,20)
InChIKeyAXCIDRQCLBWYHI-UHFFFAOYSA-N
MW345.15 g/mol
LogP3.88
Rot. Bonds3

About 4-bromo-2-quinoxalin-2-yloxybenzoic acid

4-bromo-2-quinoxalin-2-yloxybenzoic acid (PubChem CID 62360418) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 4-bromo-2-quinoxalin-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-bromo-2-quinoxalin-2-yloxybenzoic acid
PubChem CID62360418
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name4-bromo-2-quinoxalin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1cnc2ccccc2n1
InChIInChI=1S/C15H9BrN2O3/c16-9-5-6-10(15(19)20)13(7-9)21-14-8-17-11-3-1-2-4-12(11)18-14/h1-8H,(H,19,20)
InChIKeyAXCIDRQCLBWYHI-UHFFFAOYSA-N
XLogP3.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489
2-fluoro-4-quinoxalin-2-yloxybenzoic acid
CID 107677384
4-bromo-2-pyridazin-3-yloxybenzoic acid
CID 62482256
2-(2-quinoxalin-2-yloxyphenyl)acetic acid
CID 80735910
4-bromo-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649333
3-methyl-4-quinoxalin-2-yloxybenzoic acid
CID 107672759
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
2-quinoxalin-2-yloxyphenol
CID 13328504
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
4-bromo-2-(fluoromethoxy)benzoic acid
CID 172802099

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-quinoxalin-2-yloxybenzoic acid?
The IUPAC name of 4-bromo-2-quinoxalin-2-yloxybenzoic acid (CID 62360418) is 4-bromo-2-quinoxalin-2-yloxybenzoic acid.
What is the SMILES notation for 4-bromo-2-quinoxalin-2-yloxybenzoic acid?
The canonical SMILES for 4-bromo-2-quinoxalin-2-yloxybenzoic acid is O=C(O)c1ccc(Br)cc1Oc1cnc2ccccc2n1.
What is the InChIKey of 4-bromo-2-quinoxalin-2-yloxybenzoic acid?
The InChIKey is AXCIDRQCLBWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-9-5-6-10(15(19)20)13(7-9)21-14-8-17-11-3-1-2-4-12(11)18-14/h1-8H,(H,19,20).
What are the key properties of 4-bromo-2-quinoxalin-2-yloxybenzoic acid?
4-bromo-2-quinoxalin-2-yloxybenzoic acid has a molecular weight of 345.15 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-quinoxalin-2-yloxybenzoic acid is sourced from PubChem (CID 62360418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).