2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid

C14H12BrNO4 — CID 104795960

IUPAC2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ccc(Br)cn2)c1
InChIInChI=1S/C14H12BrNO4/c1-19-11-4-5-12(14(17)18)13(6-11)20-8-10-3-2-9(15)7-16-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyLQKALGLVTFEVMK-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.13
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid

2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid (PubChem CID 104795960) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
PubChem CID104795960
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ccc(Br)cn2)c1
InChIInChI=1S/C14H12BrNO4/c1-19-11-4-5-12(14(17)18)13(6-11)20-8-10-3-2-9(15)7-16-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyLQKALGLVTFEVMK-UHFFFAOYSA-N
XLogP3.13
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
CID 91034439
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116602703
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid (CID 104795960) is 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCc2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid?
The InChIKey is LQKALGLVTFEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-19-11-4-5-12(14(17)18)13(6-11)20-8-10-3-2-9(15)7-16-10/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid?
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid has a molecular weight of 338.16 g/mol, XLogP of 3.13, 5 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)methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 104795960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).