2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine

C14H13FN2O — CID 83124676

IUPAC2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1NCC(c1ccc(F)cn1)O2
InChIInChI=1S/C14H13FN2O/c1-9-3-2-4-12-14(9)17-8-13(18-12)11-6-5-10(15)7-16-11/h2-7,13,17H,8H2,1H3
InChIKeyZDRUNUOUGGZULI-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.07
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine

2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 83124676) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID83124676
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1NCC(c1ccc(F)cn1)O2
InChIInChI=1S/C14H13FN2O/c1-9-3-2-4-12-14(9)17-8-13(18-12)11-6-5-10(15)7-16-11/h2-7,13,17H,8H2,1H3
InChIKeyZDRUNUOUGGZULI-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.07
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)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 83124676) is 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cccc2c1NCC(c1ccc(F)cn1)O2.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ZDRUNUOUGGZULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-3-2-4-12-14(9)17-8-13(18-12)11-6-5-10(15)7-16-11/h2-7,13,17H,8H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(5-fluoro-2-pyridinyl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 244.27 g/mol, XLogP of 3.07, 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)-5-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 83124676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).