5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid

C12H7BrClNO3 — CID 113434920

IUPAC5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccncc1Cl
InChIInChI=1S/C12H7BrClNO3/c13-7-1-2-10(8(5-7)12(16)17)18-11-3-4-15-6-9(11)14/h1-6H,(H,16,17)
InChIKeyFDGYWMGAIXJIFD-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid

5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid (PubChem CID 113434920) has the molecular formula C12H7BrClNO3 and a molecular weight of 328.55 g/mol. Its IUPAC name is 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
PubChem CID113434920
Molecular FormulaC12H7BrClNO3
Molecular Weight328.55 g/mol
Exact Mass326.93
IUPAC Name5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccncc1Cl
InChIInChI=1S/C12H7BrClNO3/c13-7-1-2-10(8(5-7)12(16)17)18-11-3-4-15-6-9(11)14/h1-6H,(H,16,17)
InChIKeyFDGYWMGAIXJIFD-UHFFFAOYSA-N
XLogP3.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
4-[(3-bromo-4-pyridinyl)oxy]-3-chlorobenzoic acid
CID 104779128
5-bromo-2-pyrimidin-4-yloxybenzoic acid
CID 107730200
5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
CID 66464767
4-bromo-2-[(3-chloro-4-pyridinyl)sulfanyl]benzoic acid
CID 113298489
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
CID 107730186
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid?
The IUPAC name of 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid (CID 113434920) is 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid is O=C(O)c1cc(Br)ccc1Oc1ccncc1Cl.
What is the InChIKey of 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid?
The InChIKey is FDGYWMGAIXJIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3/c13-7-1-2-10(8(5-7)12(16)17)18-11-3-4-15-6-9(11)14/h1-6H,(H,16,17).
What are the key properties of 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid?
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid has a molecular weight of 328.55 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 113434920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).