4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid

C15H15NO4 — CID 115981695

IUPAC4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ncccc2C)c1
InChIInChI=1S/C15H15NO4/c1-10-4-3-7-16-13(10)9-20-14-8-11(19-2)5-6-12(14)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyNOFHFFNNKPOTGU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.68
Rot. Bonds5

About 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid

4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid (PubChem CID 115981695) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
PubChem CID115981695
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ncccc2C)c1
InChIInChI=1S/C15H15NO4/c1-10-4-3-7-16-13(10)9-20-14-8-11(19-2)5-6-12(14)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyNOFHFFNNKPOTGU-UHFFFAOYSA-N
XLogP2.68
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379364
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-bromo-3-methyl-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981987
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid (CID 115981695) is 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid is COc1ccc(C(=O)O)c(OCc2ncccc2C)c1.
What is the InChIKey of 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
The InChIKey is NOFHFFNNKPOTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-4-3-7-16-13(10)9-20-14-8-11(19-2)5-6-12(14)15(17)18/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid?
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 115981695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).