4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid

C15H13NO5 — CID 83110917

IUPAC4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccc(C(C)=O)nc1
InChIInChI=1S/C15H13NO5/c1-9(17)12-5-4-11(8-16-12)21-13-6-3-10(15(18)19)7-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyVIGHHENXBDMDBL-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.78
Rot. Bonds5

About 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid

4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid (PubChem CID 83110917) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
PubChem CID83110917
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccc(C(C)=O)nc1
InChIInChI=1S/C15H13NO5/c1-9(17)12-5-4-11(8-16-12)21-13-6-3-10(15(18)19)7-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyVIGHHENXBDMDBL-UHFFFAOYSA-N
XLogP2.78
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
3,4-dimethoxybenzoic acid;methanol
CID 144580050
6-acetylpyridine-3-carboxylic acid
CID 22323784
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
CID 115939078
1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
CID 83118902
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767

Frequently Asked Questions

What is the IUPAC name of 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid (CID 83110917) is 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Oc1ccc(C(C)=O)nc1.
What is the InChIKey of 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid?
The InChIKey is VIGHHENXBDMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-9(17)12-5-4-11(8-16-12)21-13-6-3-10(15(18)19)7-14(13)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid?
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid is sourced from PubChem (CID 83110917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).