3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C13H10F2N2O — CID 89487908

IUPAC3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESFc1cccc(F)c1C1CNc2cccnc2O1
InChIInChI=1S/C13H10F2N2O/c14-8-3-1-4-9(15)12(8)11-7-17-10-5-2-6-16-13(10)18-11/h1-6,11,17H,7H2
InChIKeyXGMCYIHSXJEBGT-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.91
Rot. Bonds1

About 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 89487908) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID89487908
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESFc1cccc(F)c1C1CNc2cccnc2O1
InChIInChI=1S/C13H10F2N2O/c14-8-3-1-4-9(15)12(8)11-7-17-10-5-2-6-16-13(10)18-11/h1-6,11,17H,7H2
InChIKeyXGMCYIHSXJEBGT-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 89487908) is 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is Fc1cccc(F)c1C1CNc2cccnc2O1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is XGMCYIHSXJEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-8-3-1-4-9(15)12(8)11-7-17-10-5-2-6-16-13(10)18-11/h1-6,11,17H,7H2.
What are the key properties of 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 248.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 89487908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).