ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate

C15H21NO2 — CID 12519922

IUPACethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C2CCCCC2)nc1C
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)13-9-10-14(16-11(13)2)12-7-5-4-6-8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyFKFVOWUKIWUPGA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.61
Rot. Bonds3

About ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate

ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate (PubChem CID 12519922) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate
PubChem CID12519922
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C2CCCCC2)nc1C
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)13-9-10-14(16-11(13)2)12-7-5-4-6-8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyFKFVOWUKIWUPGA-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate (CID 12519922) is ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C2CCCCC2)nc1C.
What is the InChIKey of ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate?
The InChIKey is FKFVOWUKIWUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-15(17)13-9-10-14(16-11(13)2)12-7-5-4-6-8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate?
ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyclohexyl-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 12519922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).