6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid

C15H11F3N2O3 — CID 123991914

IUPAC6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
SMILESO=C(O)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-3-1-2-9(8-10)11-4-5-12-13(19-11)20(14(21)22)6-7-23-12/h1-5,8H,6-7H2,(H,21,22)
InChIKeyVUJUZAYDNKSCFS-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.64
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid

6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid (PubChem CID 123991914) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
PubChem CID123991914
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
SMILESO=C(O)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-3-1-2-9(8-10)11-4-5-12-13(19-11)20(14(21)22)6-7-23-12/h1-5,8H,6-7H2,(H,21,22)
InChIKeyVUJUZAYDNKSCFS-UHFFFAOYSA-N
XLogP3.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid (CID 123991914) is 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid is O=C(O)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
The InChIKey is VUJUZAYDNKSCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)10-3-1-2-9(8-10)11-4-5-12-13(19-11)20(14(21)22)6-7-23-12/h1-5,8H,6-7H2,(H,21,22).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid has a molecular weight of 324.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid is sourced from PubChem (CID 123991914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).