2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid

C11H15NO4 — CID 175541249

IUPAC2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
SMILESCCOc1nc(OC(C)C)ccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-4-15-10-8(11(13)14)5-6-9(12-10)16-7(2)3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyCJSGXHAZLWYQRZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.97
Rot. Bonds5

About 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid

2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid (PubChem CID 175541249) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
PubChem CID175541249
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
SMILESCCOc1nc(OC(C)C)ccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-4-15-10-8(11(13)14)5-6-9(12-10)16-7(2)3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyCJSGXHAZLWYQRZ-UHFFFAOYSA-N
XLogP1.97
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid (CID 175541249) is 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid is CCOc1nc(OC(C)C)ccc1C(=O)O.
What is the InChIKey of 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid?
The InChIKey is CJSGXHAZLWYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-15-10-8(11(13)14)5-6-9(12-10)16-7(2)3/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid?
2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 175541249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).