4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid

C13H17NO3 — CID 81053389

IUPAC4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(OC2CCCC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H17NO3/c1-8-7-11(17-10-5-3-4-6-10)12(13(15)16)9(2)14-8/h7,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyCMCMVGZYKQVZBX-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.72
Rot. Bonds3

About 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid

4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053389) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053389
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(OC2CCCC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H17NO3/c1-8-7-11(17-10-5-3-4-6-10)12(13(15)16)9(2)14-8/h7,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyCMCMVGZYKQVZBX-UHFFFAOYSA-N
XLogP2.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
CID 114342617
2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
CID 81052926
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153
2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
CID 107554645
4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide
CID 81051431
4-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 114341143
2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 81052989
4-(cyclopentylmethylsulfanyl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053172
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 82752709
4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 107726792
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid (CID 81053389) is 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(OC2CCCC2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is CMCMVGZYKQVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-7-11(17-10-5-3-4-6-10)12(13(15)16)9(2)14-8/h7,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid?
4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).