4-methoxy-2-pyridin-4-yloxybenzoic acid

C13H11NO4 — CID 58236553

IUPAC4-methoxy-2-pyridin-4-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ccncc2)c1
InChIInChI=1S/C13H11NO4/c1-17-10-2-3-11(13(15)16)12(8-10)18-9-4-6-14-7-5-9/h2-8H,1H3,(H,15,16)
InChIKeyGHXXIHVYWJCVEY-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.58
Rot. Bonds4

About 4-methoxy-2-pyridin-4-yloxybenzoic acid

4-methoxy-2-pyridin-4-yloxybenzoic acid (PubChem CID 58236553) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-methoxy-2-pyridin-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-2-pyridin-4-yloxybenzoic acid
PubChem CID58236553
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name4-methoxy-2-pyridin-4-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ccncc2)c1
InChIInChI=1S/C13H11NO4/c1-17-10-2-3-11(13(15)16)12(8-10)18-9-4-6-14-7-5-9/h2-8H,1H3,(H,15,16)
InChIKeyGHXXIHVYWJCVEY-UHFFFAOYSA-N
XLogP2.58
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
CID 62770062
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
2-[3-(dimethylamino)phenoxy]-4-methoxybenzoic acid
CID 81300432
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
CID 62857687
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyridin-4-yloxybenzoic acid?
The IUPAC name of 4-methoxy-2-pyridin-4-yloxybenzoic acid (CID 58236553) is 4-methoxy-2-pyridin-4-yloxybenzoic acid.
What is the SMILES notation for 4-methoxy-2-pyridin-4-yloxybenzoic acid?
The canonical SMILES for 4-methoxy-2-pyridin-4-yloxybenzoic acid is COc1ccc(C(=O)O)c(Oc2ccncc2)c1.
What is the InChIKey of 4-methoxy-2-pyridin-4-yloxybenzoic acid?
The InChIKey is GHXXIHVYWJCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-10-2-3-11(13(15)16)12(8-10)18-9-4-6-14-7-5-9/h2-8H,1H3,(H,15,16).
What are the key properties of 4-methoxy-2-pyridin-4-yloxybenzoic acid?
4-methoxy-2-pyridin-4-yloxybenzoic acid has a molecular weight of 245.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyridin-4-yloxybenzoic acid is sourced from PubChem (CID 58236553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).