2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid

C12H6Br2FNO3 — CID 107016399

IUPAC2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ncc(Br)cc1Br
InChIInChI=1S/C12H6Br2FNO3/c13-6-4-7(14)11(16-5-6)19-9-3-1-2-8(15)10(9)12(17)18/h1-5H,(H,17,18)
InChIKeyYIKJEIHHJFQXRA-UHFFFAOYSA-N
MW390.99 g/mol
LogP4.24
Rot. Bonds3

About 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid

2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid (PubChem CID 107016399) has the molecular formula C12H6Br2FNO3 and a molecular weight of 390.99 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
PubChem CID107016399
Molecular FormulaC12H6Br2FNO3
Molecular Weight390.99 g/mol
Exact Mass388.87
IUPAC Name2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ncc(Br)cc1Br
InChIInChI=1S/C12H6Br2FNO3/c13-6-4-7(14)11(16-5-6)19-9-3-1-2-8(15)10(9)12(17)18/h1-5H,(H,17,18)
InChIKeyYIKJEIHHJFQXRA-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

2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
CID 43609551
2-fluoro-6-pyridin-2-yloxybenzoic acid
CID 104629750
1-[2-[(5,6-dibromo-3-pyridinyl)oxy]-6-fluorophenyl]ethanone
CID 129188244
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
CID 114047343

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid?
The IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid (CID 107016399) is 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1Oc1ncc(Br)cc1Br.
What is the InChIKey of 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid?
The InChIKey is YIKJEIHHJFQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2FNO3/c13-6-4-7(14)11(16-5-6)19-9-3-1-2-8(15)10(9)12(17)18/h1-5H,(H,17,18).
What are the key properties of 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid?
2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic 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 2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid is sourced from PubChem (CID 107016399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).