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

C13H10BrNO4 — CID 61395806

IUPAC2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1ccc(Br)cn1
InChIInChI=1S/C13H10BrNO4/c1-18-10-4-2-3-9(13(16)17)12(10)19-11-6-5-8(14)7-15-11/h2-7H,1H3,(H,16,17)
InChIKeyNALZBXHEAUFORL-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.34
Rot. Bonds4

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

2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid (PubChem CID 61395806) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid
PubChem CID61395806
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1ccc(Br)cn1
InChIInChI=1S/C13H10BrNO4/c1-18-10-4-2-3-9(13(16)17)12(10)19-11-6-5-8(14)7-15-11/h2-7H,1H3,(H,16,17)
InChIKeyNALZBXHEAUFORL-UHFFFAOYSA-N
XLogP3.34
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-pyrazin-2-yloxybenzoic acid
CID 61395817
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
3-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973520
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)oxy]-3-methoxybenzoic acid
CID 114585664
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43471698
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid (CID 61395806) is 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1Oc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid?
The InChIKey is NALZBXHEAUFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-18-10-4-2-3-9(13(16)17)12(10)19-11-6-5-8(14)7-15-11/h2-7H,1H3,(H,16,17).
What are the key properties of 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid?
2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid has a molecular weight of 324.13 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid is sourced from PubChem (CID 61395806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).