2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid

C14H13NO4 — CID 53222794

IUPAC2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(OC)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO4/c1-18-11-5-3-9(4-6-11)10-7-12(14(16)17)13(19-2)15-8-10/h3-8H,1-2H3,(H,16,17)
InChIKeyZKYFBJRPZIDJFC-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

About 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid

2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53222794) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53222794
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(OC)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO4/c1-18-11-5-3-9(4-6-11)10-7-12(14(16)17)13(19-2)15-8-10/h3-8H,1-2H3,(H,16,17)
InChIKeyZKYFBJRPZIDJFC-UHFFFAOYSA-N
XLogP2.46
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
CID 53222973
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid (CID 53222794) is 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(-c2cnc(OC)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is ZKYFBJRPZIDJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-11-5-3-9(4-6-11)10-7-12(14(16)17)13(19-2)15-8-10/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid?
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53222794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).