4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid

C15H15NO5 — CID 63886132

IUPAC4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(OC)c1OCc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H15NO5/c1-19-12-4-3-5-13(20-2)14(12)21-9-10-6-7-16-11(8-10)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyNBMAPWHXQXPJOE-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.38
Rot. Bonds6

About 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid

4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63886132) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63886132
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(OC)c1OCc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H15NO5/c1-19-12-4-3-5-13(20-2)14(12)21-9-10-6-7-16-11(8-10)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyNBMAPWHXQXPJOE-UHFFFAOYSA-N
XLogP2.38
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethoxyphenoxy)methyl]pyridin-2-amine
CID 62464577
4-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63885173
4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63885169
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
1-bromo-5-methoxyisoquinoline-3-carboxylic acid
CID 155891869

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid (CID 63886132) is 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid is COc1cccc(OC)c1OCc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is NBMAPWHXQXPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-12-4-3-5-13(20-2)14(12)21-9-10-6-7-16-11(8-10)15(17)18/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid?
4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63886132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).