6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid

C14H14N2O3 — CID 163318387

IUPAC6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C)c(C(=O)O)c(C)n2)cn1
InChIInChI=1S/C14H14N2O3/c1-8-6-11(16-9(2)13(8)14(17)18)10-4-5-12(19-3)15-7-10/h4-7H,1-3H3,(H,17,18)
InChIKeyMVXGRUBYLZEHCE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.47
Rot. Bonds3

About 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid

6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid (PubChem CID 163318387) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
PubChem CID163318387
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C)c(C(=O)O)c(C)n2)cn1
InChIInChI=1S/C14H14N2O3/c1-8-6-11(16-9(2)13(8)14(17)18)10-4-5-12(19-3)15-7-10/h4-7H,1-3H3,(H,17,18)
InChIKeyMVXGRUBYLZEHCE-UHFFFAOYSA-N
XLogP2.47
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
CID 3446565
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
CID 122571574
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114937601
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
CID 162638361
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid
CID 142713735
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 139270209

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid (CID 163318387) is 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid is COc1ccc(-c2cc(C)c(C(=O)O)c(C)n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid?
The InChIKey is MVXGRUBYLZEHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-6-11(16-9(2)13(8)14(17)18)10-4-5-12(19-3)15-7-10/h4-7H,1-3H3,(H,17,18).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid?
6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 163318387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).