4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid

C15H16N2O3 — CID 103174497

IUPAC4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
SMILESCCc1nc(C)ccc1Oc1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-4-12-13(6-5-9(2)17-12)20-14-7-10(3)16-8-11(14)15(18)19/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyIHPALMCAZAMATK-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.15
Rot. Bonds4

About 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid (PubChem CID 103174497) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
PubChem CID103174497
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
SMILESCCc1nc(C)ccc1Oc1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-4-12-13(6-5-9(2)17-12)20-14-7-10(3)16-8-11(14)15(18)19/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyIHPALMCAZAMATK-UHFFFAOYSA-N
XLogP3.15
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid (CID 103174497) is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid is CCc1nc(C)ccc1Oc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid?
The InChIKey is IHPALMCAZAMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-12-13(6-5-9(2)17-12)20-14-7-10(3)16-8-11(14)15(18)19/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid?
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 103174497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).