4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol

C18H15F6N3O3 — CID 177209984

IUPAC4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol
SMILESCc1nc(F)c(F)c(C2=NC(CC(O)c3c(F)c(C)nc(F)c3F)CC(O)O2)c1F
InChIInChI=1S/C18H15F6N3O3/c1-5-12(19)10(14(21)16(23)25-5)8(28)3-7-4-9(29)30-18(27-7)11-13(20)6(2)26-17(24)15(11)22/h7-9,28-29H,3-4H2,1-2H3
InChIKeyKXNTWCNHUBTAPW-UHFFFAOYSA-N
MW435.32 g/mol
LogP2.91
Rot. Bonds4

About 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol

4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol (PubChem CID 177209984) has the molecular formula C18H15F6N3O3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol.

Molecular Properties

Compound Name4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol
PubChem CID177209984
Molecular FormulaC18H15F6N3O3
Molecular Weight435.32 g/mol
Exact Mass435.10
IUPAC Name4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol
SMILESCc1nc(F)c(F)c(C2=NC(CC(O)c3c(F)c(C)nc(F)c3F)CC(O)O2)c1F
InChIInChI=1S/C18H15F6N3O3/c1-5-12(19)10(14(21)16(23)25-5)8(28)3-7-4-9(29)30-18(27-7)11-13(20)6(2)26-17(24)15(11)22/h7-9,28-29H,3-4H2,1-2H3
InChIKeyKXNTWCNHUBTAPW-UHFFFAOYSA-N
XLogP2.91
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol?
The IUPAC name of 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol (CID 177209984) is 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol.
What is the SMILES notation for 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol?
The canonical SMILES for 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol is Cc1nc(F)c(F)c(C2=NC(CC(O)c3c(F)c(C)nc(F)c3F)CC(O)O2)c1F.
What is the InChIKey of 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol?
The InChIKey is KXNTWCNHUBTAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N3O3/c1-5-12(19)10(14(21)16(23)25-5)8(28)3-7-4-9(29)30-18(27-7)11-13(20)6(2)26-17(24)15(11)22/h7-9,28-29H,3-4H2,1-2H3.
What are the key properties of 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol?
4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol has a molecular weight of 435.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)ethyl]-2-(2,3,5-trifluoro-6-methyl-4-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-6-ol is sourced from PubChem (CID 177209984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).