4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid

C12H17NO4 — CID 103487183

IUPAC4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
SMILESCCOCC(C)Oc1cc(C)ncc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-4-16-7-9(3)17-11-5-8(2)13-6-10(11)12(14)15/h5-6,9H,4,7H2,1-3H3,(H,14,15)
InChIKeyZOYZZEFEJBKPIX-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.89
Rot. Bonds6

About 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid

4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 103487183) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
PubChem CID103487183
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
SMILESCCOCC(C)Oc1cc(C)ncc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-4-16-7-9(3)17-11-5-8(2)13-6-10(11)12(14)15/h5-6,9H,4,7H2,1-3H3,(H,14,15)
InChIKeyZOYZZEFEJBKPIX-UHFFFAOYSA-N
XLogP1.89
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
2-Phenoxynicotinic acid
CID 123450
2-Methoxynicotinic acid
CID 708093
2-(Methoxycarbonyl)phenyl nicotinate
CID 571558
2-Ethoxypyridine-3-carboxylic acid
CID 2736345
2-(4-Fluorophenoxy)nicotinic acid
CID 605123
6-Methyl-4-(pentan-3-yloxy)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylic acid
CID 21912354
2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate
CID 34132
Methyl 4-Methoxynicotinate
CID 10678657
2-Methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
4-Methoxypyridine-3-carboxylic acid
CID 22498624
6-[(Tetrahydro-2H-pyran-4-yl)oxy]-3-pyridinecarboxylic acid
CID 24229576

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid (CID 103487183) is 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid is CCOCC(C)Oc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZOYZZEFEJBKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-16-7-9(3)17-11-5-8(2)13-6-10(11)12(14)15/h5-6,9H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid?
4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 103487183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).