(5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone

C14H17F3N2O3 — CID 164642528

IUPAC(5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cncc(O)c2)C[C@@](C)(C(F)(F)F)O1
InChIInChI=1S/C14H17F3N2O3/c1-12(2)7-19(8-13(3,22-12)14(15,16)17)11(21)9-4-10(20)6-18-5-9/h4-6,20H,7-8H2,1-3H3/t13-/m0/s1
InChIKeyVTZIRXAUMFUNDT-ZDUSSCGKSA-N
MW318.29 g/mol
LogP2.36
Rot. Bonds1

About (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone

(5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 164642528) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID164642528
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name(5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cncc(O)c2)C[C@@](C)(C(F)(F)F)O1
InChIInChI=1S/C14H17F3N2O3/c1-12(2)7-19(8-13(3,22-12)14(15,16)17)11(21)9-4-10(20)6-18-5-9/h4-6,20H,7-8H2,1-3H3/t13-/m0/s1
InChIKeyVTZIRXAUMFUNDT-ZDUSSCGKSA-N
XLogP2.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 354313
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CID 2849237
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CID 6602543
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CID 16195269
CID 16195269
CID 162653614
CID 162653614
CID 1549114
CID 1549114
CID 652894
CID 652894
CID 1552457
CID 1552457
CID 3136481
CID 3136481
CID 324235
CID 324235
CID 77401769
CID 77401769

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone (CID 164642528) is (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone is CC1(C)CN(C(=O)c2cncc(O)c2)C[C@@](C)(C(F)(F)F)O1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is VTZIRXAUMFUNDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-12(2)7-19(8-13(3,22-12)14(15,16)17)11(21)9-4-10(20)6-18-5-9/h4-6,20H,7-8H2,1-3H3/t13-/m0/s1.
What are the key properties of (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
(5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 318.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[(6S)-2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 164642528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).