5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid

C12H6Br2FNO3 — CID 114046913

IUPAC5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ncc(Br)cc1F
InChIInChI=1S/C12H6Br2FNO3/c13-6-1-2-10(8(3-6)12(17)18)19-11-9(15)4-7(14)5-16-11/h1-5H,(H,17,18)
InChIKeySDNYPDFXVYGVIY-UHFFFAOYSA-N
MW390.99 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid

5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid (PubChem CID 114046913) has the molecular formula C12H6Br2FNO3 and a molecular weight of 390.99 g/mol. Its IUPAC name is 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
PubChem CID114046913
Molecular FormulaC12H6Br2FNO3
Molecular Weight390.99 g/mol
Exact Mass388.87
IUPAC Name5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ncc(Br)cc1F
InChIInChI=1S/C12H6Br2FNO3/c13-6-1-2-10(8(3-6)12(17)18)19-11-9(15)4-7(14)5-16-11/h1-5H,(H,17,18)
InChIKeySDNYPDFXVYGVIY-UHFFFAOYSA-N
XLogP4.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.99
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
CID 107730186
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
CID 114047343
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 107730175
2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016399

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid (CID 114046913) is 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1cc(Br)ccc1Oc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is SDNYPDFXVYGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2FNO3/c13-6-1-2-10(8(3-6)12(17)18)19-11-9(15)4-7(14)5-16-11/h1-5H,(H,17,18).
What are the key properties of 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid?
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 390.99 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 114046913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).