7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one

C8H5F3N2O2 — CID 126645215

IUPAC7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(C(F)(F)F)ncc2N1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)6-1-5-4(2-12-6)13-7(14)3-15-5/h1-2H,3H2,(H,13,14)
InChIKeyAYCNGBYGOTZFDN-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.43
Rot. Bonds

About 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one

7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 126645215) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one
PubChem CID126645215
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(C(F)(F)F)ncc2N1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)6-1-5-4(2-12-6)13-7(14)3-15-5/h1-2H,3H2,(H,13,14)
InChIKeyAYCNGBYGOTZFDN-UHFFFAOYSA-N
XLogP1.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one (CID 126645215) is 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one is O=C1COc2cc(C(F)(F)F)ncc2N1.
What is the InChIKey of 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is AYCNGBYGOTZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)6-1-5-4(2-12-6)13-7(14)3-15-5/h1-2H,3H2,(H,13,14).
What are the key properties of 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one?
7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 218.13 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-4H-pyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 126645215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).