2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid

C15H21NO3 — CID 62382414

IUPAC2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OCC2CCCCC2)n1
InChIInChI=1S/C15H21NO3/c1-10-8-11(2)16-14(13(10)15(17)18)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyMQQSOGRQEADYJX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.36
Rot. Bonds4

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

2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 62382414) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID62382414
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OCC2CCCCC2)n1
InChIInChI=1S/C15H21NO3/c1-10-8-11(2)16-14(13(10)15(17)18)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyMQQSOGRQEADYJX-UHFFFAOYSA-N
XLogP3.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid (CID 62382414) is 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(OCC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is MQQSOGRQEADYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-11(2)16-14(13(10)15(17)18)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid?
2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 62382414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).