methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate

C12H13F3N2O3 — CID 139369684

IUPACmethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(N2CCOCC2)n1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)9-3-2-8(12(13,14)15)10(16-9)17-4-6-20-7-5-17/h2-3H,4-7H2,1H3
InChIKeyKYOVDQVTNCAKJX-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.72
Rot. Bonds2

About methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 139369684) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID139369684
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Namemethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(N2CCOCC2)n1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)9-3-2-8(12(13,14)15)10(16-9)17-4-6-20-7-5-17/h2-3H,4-7H2,1H3
InChIKeyKYOVDQVTNCAKJX-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate (CID 139369684) is methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ccc(C(F)(F)F)c(N2CCOCC2)n1.
What is the InChIKey of methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is KYOVDQVTNCAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-19-11(18)9-3-2-8(12(13,14)15)10(16-9)17-4-6-20-7-5-17/h2-3H,4-7H2,1H3.
What are the key properties of methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 290.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 139369684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).