2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid

C13H13F3N2O4 — CID 120527535

IUPAC2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ncccc2C(F)(F)F)CCO1
InChIInChI=1S/C13H13F3N2O4/c14-13(15,16)9-2-1-3-17-11(9)12(21)18-4-5-22-8(7-18)6-10(19)20/h1-3,8H,4-7H2,(H,19,20)
InChIKeyVKSRAXCUOVOTOW-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid

2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 120527535) has the molecular formula C13H13F3N2O4 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
PubChem CID120527535
Molecular FormulaC13H13F3N2O4
Molecular Weight318.25 g/mol
Exact Mass318.08
IUPAC Name2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ncccc2C(F)(F)F)CCO1
InChIInChI=1S/C13H13F3N2O4/c14-13(15,16)9-2-1-3-17-11(9)12(21)18-4-5-22-8(7-18)6-10(19)20/h1-3,8H,4-7H2,(H,19,20)
InChIKeyVKSRAXCUOVOTOW-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527605
(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 128974482
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[4-[3-[2-(trifluoromethyl)phenyl]but-2-enoyl]morpholin-2-yl]acetic acid
CID 126771960
(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 107519186
(3-anilinopyrrolidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 136519872
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 175772486
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420959
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid (CID 120527535) is 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ncccc2C(F)(F)F)CCO1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is VKSRAXCUOVOTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4/c14-13(15,16)9-2-1-3-17-11(9)12(21)18-4-5-22-8(7-18)6-10(19)20/h1-3,8H,4-7H2,(H,19,20).
What are the key properties of 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 318.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).