4-ethoxy-6-methylpyridine-3-carboxylic acid

C9H11NO3 — CID 81230098

IUPAC4-ethoxy-6-methylpyridine-3-carboxylic acid
SMILESCCOc1cc(C)ncc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-3-13-8-4-6(2)10-5-7(8)9(11)12/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyKIVCAECCTPPDBY-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.49
Rot. Bonds3

About 4-ethoxy-6-methylpyridine-3-carboxylic acid

4-ethoxy-6-methylpyridine-3-carboxylic acid (PubChem CID 81230098) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-ethoxy-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-ethoxy-6-methylpyridine-3-carboxylic acid
PubChem CID81230098
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-ethoxy-6-methylpyridine-3-carboxylic acid
SMILESCCOc1cc(C)ncc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-3-13-8-4-6(2)10-5-7(8)9(11)12/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyKIVCAECCTPPDBY-UHFFFAOYSA-N
XLogP1.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
CID 81225924
4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
CID 103487183
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
CID 81226169
4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
CID 91225203
4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 115401714
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
CID 132588856
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-ethoxy-6-methylpyridine-3-carboxylic acid (CID 81230098) is 4-ethoxy-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-ethoxy-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-ethoxy-6-methylpyridine-3-carboxylic acid is CCOc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-ethoxy-6-methylpyridine-3-carboxylic acid?
The InChIKey is KIVCAECCTPPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-13-8-4-6(2)10-5-7(8)9(11)12/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-ethoxy-6-methylpyridine-3-carboxylic acid?
4-ethoxy-6-methylpyridine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81230098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).