methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate

C14H17NO4 — CID 113414185

IUPACmethyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC2CCC(=O)CC2)nc1
InChIInChI=1S/C14H17NO4/c1-18-14(17)10-2-3-11(15-8-10)9-19-13-6-4-12(16)5-7-13/h2-3,8,13H,4-7,9H2,1H3
InChIKeyGEEHRGQNXWZTNX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds4

About methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate

methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate (PubChem CID 113414185) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
PubChem CID113414185
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC2CCC(=O)CC2)nc1
InChIInChI=1S/C14H17NO4/c1-18-14(17)10-2-3-11(15-8-10)9-19-13-6-4-12(16)5-7-13/h2-3,8,13H,4-7,9H2,1H3
InChIKeyGEEHRGQNXWZTNX-UHFFFAOYSA-N
XLogP1.90
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 106940607
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715
methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
CID 113282021
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209
methyl 6-[(3-amino-5-bromophenoxy)methyl]pyridine-3-carboxylate
CID 103588331
methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
CID 82828515

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate (CID 113414185) is methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate is COC(=O)c1ccc(COC2CCC(=O)CC2)nc1.
What is the InChIKey of methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate?
The InChIKey is GEEHRGQNXWZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-14(17)10-2-3-11(15-8-10)9-19-13-6-4-12(16)5-7-13/h2-3,8,13H,4-7,9H2,1H3.
What are the key properties of methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate?
methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate is sourced from PubChem (CID 113414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).