methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate

C14H14F6N2O3 — CID 176746811

IUPACmethyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N2CCOC(C(F)(F)F)C2)ncc(C(F)(F)F)c1C
InChIInChI=1S/C14H14F6N2O3/c1-7-8(13(15,16)17)5-21-11(10(7)12(23)24-2)22-3-4-25-9(6-22)14(18,19)20/h5,9H,3-4,6H2,1-2H3
InChIKeyCTJIHKIAGWLDEI-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.96
Rot. Bonds2

About methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate

methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate (PubChem CID 176746811) has the molecular formula C14H14F6N2O3 and a molecular weight of 372.27 g/mol. Its IUPAC name is methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
PubChem CID176746811
Molecular FormulaC14H14F6N2O3
Molecular Weight372.27 g/mol
Exact Mass372.09
IUPAC Namemethyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N2CCOC(C(F)(F)F)C2)ncc(C(F)(F)F)c1C
InChIInChI=1S/C14H14F6N2O3/c1-7-8(13(15,16)17)5-21-11(10(7)12(23)24-2)22-3-4-25-9(6-22)14(18,19)20/h5,9H,3-4,6H2,1-2H3
InChIKeyCTJIHKIAGWLDEI-UHFFFAOYSA-N
XLogP2.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543397
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398
4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 169123909
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 95525298
methyl 1-methyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]benzimidazole-5-carboxylate
CID 95556081
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 95463386
(2R)-4-(5-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 95444910
2-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 154209947
(2R)-4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 95463966
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
[[2-(4,4-difluoroazepan-1-yl)-4-methyl-5-(trifluoromethyl)pyridine-3-carbonyl]amino] carbamate
CID 169123878
2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
CID 56881153

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate (CID 176746811) is methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate is COC(=O)c1c(N2CCOC(C(F)(F)F)C2)ncc(C(F)(F)F)c1C.
What is the InChIKey of methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is CTJIHKIAGWLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O3/c1-7-8(13(15,16)17)5-21-11(10(7)12(23)24-2)22-3-4-25-9(6-22)14(18,19)20/h5,9H,3-4,6H2,1-2H3.
What are the key properties of methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 372.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 176746811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).