4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid

C15H21NO3 — CID 43326039

IUPAC4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid
SMILESCC1CC(Oc2ccnc(C(=O)O)c2)CC(C)(C)C1
InChIInChI=1S/C15H21NO3/c1-10-6-12(9-15(2,3)8-10)19-11-4-5-16-13(7-11)14(17)18/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,17,18)
InChIKeyCSQIPPUKFRUAQK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.37
Rot. Bonds3

About 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid

4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid (PubChem CID 43326039) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid
PubChem CID43326039
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid
SMILESCC1CC(Oc2ccnc(C(=O)O)c2)CC(C)(C)C1
InChIInChI=1S/C15H21NO3/c1-10-6-12(9-15(2,3)8-10)19-11-4-5-16-13(7-11)14(17)18/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,17,18)
InChIKeyCSQIPPUKFRUAQK-UHFFFAOYSA-N
XLogP3.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid?
The IUPAC name of 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid (CID 43326039) is 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid is CC1CC(Oc2ccnc(C(=O)O)c2)CC(C)(C)C1.
What is the InChIKey of 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid?
The InChIKey is CSQIPPUKFRUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-12(9-15(2,3)8-10)19-11-4-5-16-13(7-11)14(17)18/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid?
4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 43326039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).