methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate

C12H13F3N2O3 — CID 95543397

IUPACmethyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)nc1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)8-2-3-10(16-6-8)17-4-5-20-9(7-17)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyQNFWCFCQGLKTTL-VIFPVBQESA-N
MW290.24 g/mol
LogP1.64
Rot. Bonds2

About methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate

methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate (PubChem CID 95543397) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
PubChem CID95543397
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Namemethyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)nc1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)8-2-3-10(16-6-8)17-4-5-20-9(7-17)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyQNFWCFCQGLKTTL-VIFPVBQESA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
methyl 1-methyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]benzimidazole-5-carboxylate
CID 95556081
methyl 4-methyl-5-(trifluoromethyl)-2-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 176746811
2-(dimethylamino)-1-[4-[[6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanone
CID 166401862
2-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 154209947
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
CID 134258128
(2R)-4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 95463966
2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965247
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate (CID 95543397) is methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)nc1.
What is the InChIKey of methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is QNFWCFCQGLKTTL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-19-11(18)8-2-3-10(16-6-8)17-4-5-20-9(7-17)12(13,14)15/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate?
methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 290.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 95543397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).