4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid

C16H23NO3 — CID 114342617

IUPAC4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(OC2CCC(C)(C)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H23NO3/c1-10-9-13(14(15(18)19)11(2)17-10)20-12-5-7-16(3,4)8-6-12/h9,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyRNONOCIUGKKFNI-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.74
Rot. Bonds3

About 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid

4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 114342617) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID114342617
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(OC2CCC(C)(C)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H23NO3/c1-10-9-13(14(15(18)19)11(2)17-10)20-12-5-7-16(3,4)8-6-12/h9,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyRNONOCIUGKKFNI-UHFFFAOYSA-N
XLogP3.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid (CID 114342617) is 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(OC2CCC(C)(C)CC2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is RNONOCIUGKKFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-9-13(14(15(18)19)11(2)17-10)20-12-5-7-16(3,4)8-6-12/h9,12H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid?
4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 114342617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).