methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate

C12H13F3N2O3 — CID 79839039

IUPACmethyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2cc(C(F)(F)F)ccn2)CCO1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)9-7-17(4-5-20-9)10-6-8(2-3-16-10)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3
InChIKeyJDFNCGZWBWUCPO-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.48
Rot. Bonds2

About methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate

methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate (PubChem CID 79839039) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
PubChem CID79839039
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Namemethyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2cc(C(F)(F)F)ccn2)CCO1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)9-7-17(4-5-20-9)10-6-8(2-3-16-10)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3
InChIKeyJDFNCGZWBWUCPO-UHFFFAOYSA-N
XLogP1.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate (CID 79839039) is methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate is COC(=O)C1CN(c2cc(C(F)(F)F)ccn2)CCO1.
What is the InChIKey of methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
The InChIKey is JDFNCGZWBWUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-19-11(18)9-7-17(4-5-20-9)10-6-8(2-3-16-10)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate has a molecular weight of 290.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate is sourced from PubChem (CID 79839039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).