2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid

C12H10F4N2O5 — CID 118591044

IUPAC2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C12H10F4N2O5/c13-5-1-2-6(12(14,15)16)17-9(5)18-3-4-23-8(10(18)20)7(19)11(21)22/h1-2,7-8,19H,3-4H2,(H,21,22)/t7?,8-/m1/s1
InChIKeyKDNFBRVNZAXHPI-BRFYHDHCSA-N
MW338.21 g/mol
LogP0.42
Rot. Bonds3

About 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid

2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid (PubChem CID 118591044) has the molecular formula C12H10F4N2O5 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid
PubChem CID118591044
Molecular FormulaC12H10F4N2O5
Molecular Weight338.21 g/mol
Exact Mass338.05
IUPAC Name2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C12H10F4N2O5/c13-5-1-2-6(12(14,15)16)17-9(5)18-3-4-23-8(10(18)20)7(19)11(21)22/h1-2,7-8,19H,3-4H2,(H,21,22)/t7?,8-/m1/s1
InChIKeyKDNFBRVNZAXHPI-BRFYHDHCSA-N
XLogP0.42
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid (CID 118591044) is 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid is O=C(O)C(O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O.
What is the InChIKey of 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid?
The InChIKey is KDNFBRVNZAXHPI-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H10F4N2O5/c13-5-1-2-6(12(14,15)16)17-9(5)18-3-4-23-8(10(18)20)7(19)11(21)22/h1-2,7-8,19H,3-4H2,(H,21,22)/t7?,8-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid?
2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid has a molecular weight of 338.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 118591044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).