5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid

C14H13NO4 — CID 63852197

IUPAC5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
SMILESCOc1cccc(COc2cncc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO4/c1-18-12-4-2-3-10(5-12)9-19-13-6-11(14(16)17)7-15-8-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIPDWNZYSVGNCNL-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.37
Rot. Bonds5

About 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid

5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63852197) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID63852197
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
SMILESCOc1cccc(COc2cncc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO4/c1-18-12-4-2-3-10(5-12)9-19-13-6-11(14(16)17)7-15-8-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIPDWNZYSVGNCNL-UHFFFAOYSA-N
XLogP2.37
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid (CID 63852197) is 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid is COc1cccc(COc2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is IPDWNZYSVGNCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-12-4-2-3-10(5-12)9-19-13-6-11(14(16)17)7-15-8-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid?
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63852197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).