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

4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 81243462
5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
CID 103486457
2-amino-5-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489388
4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
CID 81225924
[4-(1-ethoxypropan-2-yloxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 103486328
2-amino-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489403
3-bromo-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103490829
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
CID 81226169
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4,6-dimethylpyridine-3-carboxylic acid
CID 817290

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).