5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid

C15H15NO5 — CID 53223784

IUPAC5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(-c2cnc(OC)c(C(=O)O)c2)c1
InChIInChI=1S/C15H15NO5/c1-19-11-4-9(5-12(7-11)20-2)10-6-13(15(17)18)14(21-3)16-8-10/h4-8H,1-3H3,(H,17,18)
InChIKeyLTAUNDCRXVMKIM-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.47
Rot. Bonds5

About 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid

5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid (PubChem CID 53223784) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
PubChem CID53223784
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(-c2cnc(OC)c(C(=O)O)c2)c1
InChIInChI=1S/C15H15NO5/c1-19-11-4-9(5-12(7-11)20-2)10-6-13(15(17)18)14(21-3)16-8-10/h4-8H,1-3H3,(H,17,18)
InChIKeyLTAUNDCRXVMKIM-UHFFFAOYSA-N
XLogP2.47
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
CID 53222973
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
CID 130735023
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
4-(3,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223777

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid (CID 53223784) is 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid is COc1cc(OC)cc(-c2cnc(OC)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid?
The InChIKey is LTAUNDCRXVMKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-11-4-9(5-12(7-11)20-2)10-6-13(15(17)18)14(21-3)16-8-10/h4-8H,1-3H3,(H,17,18).
What are the key properties of 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid?
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 53223784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).