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

C13H9BrClNO4 — CID 114838080

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
SMILESCOc1ccc(Oc2ncc(Cl)cc2Br)c(C(=O)O)c1
InChIInChI=1S/C13H9BrClNO4/c1-19-8-2-3-11(9(5-8)13(17)18)20-12-10(14)4-7(15)6-16-12/h2-6H,1H3,(H,17,18)
InChIKeySYXUAQYGZVNXBN-UHFFFAOYSA-N
MW358.58 g/mol
LogP4.00
Rot. Bonds4

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

2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid (PubChem CID 114838080) has the molecular formula C13H9BrClNO4 and a molecular weight of 358.58 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
PubChem CID114838080
Molecular FormulaC13H9BrClNO4
Molecular Weight358.58 g/mol
Exact Mass356.94
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
SMILESCOc1ccc(Oc2ncc(Cl)cc2Br)c(C(=O)O)c1
InChIInChI=1S/C13H9BrClNO4/c1-19-8-2-3-11(9(5-8)13(17)18)20-12-10(14)4-7(15)6-16-12/h2-6H,1H3,(H,17,18)
InChIKeySYXUAQYGZVNXBN-UHFFFAOYSA-N
XLogP4.00
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
5-[(3-bromo-5-chloro-2-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077846
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-[(3-bromo-5-nitro-2-pyridinyl)oxy]-5-chlorobenzoic acid
CID 79531145
5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
CID 107730186
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 83155338
2-butoxy-5-methoxybenzoic acid
CID 43213162
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid (CID 114838080) is 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid is COc1ccc(Oc2ncc(Cl)cc2Br)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid?
The InChIKey is SYXUAQYGZVNXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO4/c1-19-8-2-3-11(9(5-8)13(17)18)20-12-10(14)4-7(15)6-16-12/h2-6H,1H3,(H,17,18).
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid?
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid has a molecular weight of 358.58 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid is sourced from PubChem (CID 114838080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).