2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide

C11H12F3N3O2 — CID 95463386

IUPAC2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-6-17(4-5-19-8)10-7(9(15)18)2-1-3-16-10/h1-3,8H,4-6H2,(H2,15,18)/t8-/m1/s1
InChIKeyHEKFOOGVOSPFKS-MRVPVSSYSA-N
MW275.23 g/mol
LogP0.95
Rot. Bonds2

About 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide

2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide (PubChem CID 95463386) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
PubChem CID95463386
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-6-17(4-5-19-8)10-7(9(15)18)2-1-3-16-10/h1-3,8H,4-6H2,(H2,15,18)/t8-/m1/s1
InChIKeyHEKFOOGVOSPFKS-MRVPVSSYSA-N
XLogP0.95
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide (CID 95463386) is 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is HEKFOOGVOSPFKS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-6-17(4-5-19-8)10-7(9(15)18)2-1-3-16-10/h1-3,8H,4-6H2,(H2,15,18)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).