methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate

C13H18N2O4 — CID 102635178

IUPACmethyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1OCC1CNCC(C)O1
InChIInChI=1S/C13H18N2O4/c1-9-6-14-7-10(19-9)8-18-12-11(13(16)17-2)4-3-5-15-12/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeyCZDDMTYPMFVHKY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds4

About methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate

methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate (PubChem CID 102635178) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate
PubChem CID102635178
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1OCC1CNCC(C)O1
InChIInChI=1S/C13H18N2O4/c1-9-6-14-7-10(19-9)8-18-12-11(13(16)17-2)4-3-5-15-12/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeyCZDDMTYPMFVHKY-UHFFFAOYSA-N
XLogP0.62
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate (CID 102635178) is methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate is COC(=O)c1cccnc1OCC1CNCC(C)O1.
What is the InChIKey of methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate?
The InChIKey is CZDDMTYPMFVHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-6-14-7-10(19-9)8-18-12-11(13(16)17-2)4-3-5-15-12/h3-5,9-10,14H,6-8H2,1-2H3.
What are the key properties of methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate?
methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 102635178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).