(2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one

C21H16F3NO4 — CID 71735260

IUPAC(2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)[C@H](O)CO
InChIInChI=1S/C21H16F3NO4/c22-21(23,24)14-6-10-16(11-7-14)29-15-8-4-13(5-9-15)17-2-1-3-18(25-17)20(28)19(27)12-26/h1-11,19,26-27H,12H2/t19-/m1/s1
InChIKeyWBQTVHQWLVZLHR-LJQANCHMSA-N
MW403.36 g/mol
LogP4.10
Rot. Bonds6

About (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one

(2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one (PubChem CID 71735260) has the molecular formula C21H16F3NO4 and a molecular weight of 403.36 g/mol. Its IUPAC name is (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name(2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one
PubChem CID71735260
Molecular FormulaC21H16F3NO4
Molecular Weight403.36 g/mol
Exact Mass403.10
IUPAC Name(2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)[C@H](O)CO
InChIInChI=1S/C21H16F3NO4/c22-21(23,24)14-6-10-16(11-7-14)29-15-8-4-13(5-9-15)17-2-1-3-18(25-17)20(28)19(27)12-26/h1-11,19,26-27H,12H2/t19-/m1/s1
InChIKeyWBQTVHQWLVZLHR-LJQANCHMSA-N
XLogP4.10
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one?
The IUPAC name of (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one (CID 71735260) is (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one?
The canonical SMILES for (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one is O=C(c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)[C@H](O)CO.
What is the InChIKey of (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one?
The InChIKey is WBQTVHQWLVZLHR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H16F3NO4/c22-21(23,24)14-6-10-16(11-7-14)29-15-8-4-13(5-9-15)17-2-1-3-18(25-17)20(28)19(27)12-26/h1-11,19,26-27H,12H2/t19-/m1/s1.
What are the key properties of (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one?
(2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one has a molecular weight of 403.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dihydroxy-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 71735260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).