5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid

C13H12N2O3 — CID 114272248

IUPAC5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2cncc(C(=O)O)c2)cc(C)n1
InChIInChI=1S/C13H12N2O3/c1-8-3-11(4-9(2)15-8)18-12-5-10(13(16)17)6-14-7-12/h3-7H,1-2H3,(H,16,17)
InChIKeyNSNRUMKWJJSVAJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid

5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid (PubChem CID 114272248) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
PubChem CID114272248
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2cncc(C(=O)O)c2)cc(C)n1
InChIInChI=1S/C13H12N2O3/c1-8-3-11(4-9(2)15-8)18-12-5-10(13(16)17)6-14-7-12/h3-7H,1-2H3,(H,16,17)
InChIKeyNSNRUMKWJJSVAJ-UHFFFAOYSA-N
XLogP2.58
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloropyridin-3-yl nicotinate
CID 16204423
5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-nicotinic acid methyl ester
CID 44319186
Ethyl 5-hydroxynicotinate
CID 910016
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
6-Phenoxynicotinic Acid
CID 2776497
5-Methoxynicotinic acid
CID 4738390
5-(((Benzyloxy)carbonyl)oxy)nicotinic acid
CID 770213
5-[(Methoxycarbonyl)oxy]nicotinic acid
CID 770217
5-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 63851865
Methyl 5-methoxy-6-methylpyridine-3-carboxylate
CID 119135682
Methyl 5-(3-(6-methylpyridin-2-yl)prop-2-ynyloxy)nicotinate
CID 44416254
[5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl nicotinate
CID 85152

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid (CID 114272248) is 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid is Cc1cc(Oc2cncc(C(=O)O)c2)cc(C)n1.
What is the InChIKey of 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid?
The InChIKey is NSNRUMKWJJSVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-3-11(4-9(2)15-8)18-12-5-10(13(16)17)6-14-7-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid?
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 114272248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).