5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid

C11H15NO3 — CID 132588856

IUPAC5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
SMILESCCOc1cnc(C(C)C)cc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-15-10-6-12-9(7(2)3)5-8(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyXIZAQECRDIMEDG-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.30
Rot. Bonds4

About 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid

5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 132588856) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
PubChem CID132588856
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
SMILESCCOc1cnc(C(C)C)cc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-15-10-6-12-9(7(2)3)5-8(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyXIZAQECRDIMEDG-UHFFFAOYSA-N
XLogP2.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861
ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
CID 172993527
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine
CID 137409390
2-ethoxy-5-(2-propan-2-ylsulfanylacetyl)benzoic acid
CID 82052368
3-ethoxy-5-iodo-2-propan-2-yloxybenzoic acid
CID 100583810
5-cyano-2-ethoxybenzoic acid
CID 51712745

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid (CID 132588856) is 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid is CCOc1cnc(C(C)C)cc1C(=O)O.
What is the InChIKey of 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is XIZAQECRDIMEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-15-10-6-12-9(7(2)3)5-8(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid?
5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 132588856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).