ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate

C15H21NO3 — CID 114074875

IUPACethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OC2CCCCC2C)nc1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)12-8-9-14(16-10-12)19-13-7-5-4-6-11(13)2/h8-11,13H,3-7H2,1-2H3
InChIKeyDESBNAGBBITZHS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.22
Rot. Bonds4

About ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate

ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate (PubChem CID 114074875) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate
PubChem CID114074875
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OC2CCCCC2C)nc1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)12-8-9-14(16-10-12)19-13-7-5-4-6-11(13)2/h8-11,13H,3-7H2,1-2H3
InChIKeyDESBNAGBBITZHS-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-methylcyclohexyl)oxypyridine
CID 66235023
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 6-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348809
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
(2-methylcyclohexyl) 6-chloropyridine-3-carboxylate
CID 60715692
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 47013899
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
CID 64742881
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
N,N-dimethyl-6-(4-methylpiperidin-3-yl)oxypyridine-3-carboxamide
CID 102954715

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate (CID 114074875) is ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate is CCOC(=O)c1ccc(OC2CCCCC2C)nc1.
What is the InChIKey of ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate?
The InChIKey is DESBNAGBBITZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-15(17)12-8-9-14(16-10-12)19-13-7-5-4-6-11(13)2/h8-11,13H,3-7H2,1-2H3.
What are the key properties of ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate?
ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate is sourced from PubChem (CID 114074875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).