2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

C15H15FN2O — CID 83124754

IUPAC2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NCC(c1ccc(F)cn1)O2
InChIInChI=1S/C15H15FN2O/c1-9-5-10(2)15-13(6-9)18-8-14(19-15)12-4-3-11(16)7-17-12/h3-7,14,18H,8H2,1-2H3
InChIKeyRCFROYDLFKZQHW-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.38
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 83124754) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID83124754
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NCC(c1ccc(F)cn1)O2
InChIInChI=1S/C15H15FN2O/c1-9-5-10(2)15-13(6-9)18-8-14(19-15)12-4-3-11(16)7-17-12/h3-7,14,18H,8H2,1-2H3
InChIKeyRCFROYDLFKZQHW-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 83124754) is 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c2c(c1)NCC(c1ccc(F)cn1)O2.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is RCFROYDLFKZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-5-10(2)15-13(6-9)18-8-14(19-15)12-4-3-11(16)7-17-12/h3-7,14,18H,8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 258.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 83124754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).