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

C11H11F3N2O3 — CID 95525298

IUPAC2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(4-5-19-8)9-7(10(17)18)2-1-3-15-9/h1-3,8H,4-6H2,(H,17,18)/t8-/m1/s1
InChIKeyPQDKBGGBEPWGAB-MRVPVSSYSA-N
MW276.21 g/mol
LogP1.55
Rot. Bonds2

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

2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 95525298) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID95525298
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(4-5-19-8)9-7(10(17)18)2-1-3-15-9/h1-3,8H,4-6H2,(H,17,18)/t8-/m1/s1
InChIKeyPQDKBGGBEPWGAB-MRVPVSSYSA-N
XLogP1.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.55
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-carboxylic acid?
The IUPAC name of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid (CID 95525298) is 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is PQDKBGGBEPWGAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(4-5-19-8)9-7(10(17)18)2-1-3-15-9/h1-3,8H,4-6H2,(H,17,18)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.55, 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-carboxylic acid is sourced from PubChem (CID 95525298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).