2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one

C8H3F3N2O2 — CID 166638594

IUPAC2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(C(F)(F)F)nc2ncccc12
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)7-13-5-4(6(14)15-7)2-1-3-12-5/h1-3H
InChIKeyLSFIRTLGBPEYBF-UHFFFAOYSA-N
MW216.12 g/mol
LogP1.60
Rot. Bonds

About 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one

2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one (PubChem CID 166638594) has the molecular formula C8H3F3N2O2 and a molecular weight of 216.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one
PubChem CID166638594
Molecular FormulaC8H3F3N2O2
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(C(F)(F)F)nc2ncccc12
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)7-13-5-4(6(14)15-7)2-1-3-12-5/h1-3H
InChIKeyLSFIRTLGBPEYBF-UHFFFAOYSA-N
XLogP1.60
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one (CID 166638594) is 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one is O=c1oc(C(F)(F)F)nc2ncccc12.
What is the InChIKey of 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one?
The InChIKey is LSFIRTLGBPEYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2/c9-8(10,11)7-13-5-4(6(14)15-7)2-1-3-12-5/h1-3H.
What are the key properties of 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one?
2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one has a molecular weight of 216.12 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 166638594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).