7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one

C8H7FN2O2 — CID 138667813

IUPAC7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCN1C(=O)COc2ncc(F)cc21
InChIInChI=1S/C8H7FN2O2/c1-11-6-2-5(9)3-10-8(6)13-4-7(11)12/h2-3H,4H2,1H3
InChIKeyOQASJDNOYJOEKL-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.58
Rot. Bonds

About 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one

7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 138667813) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID138667813
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCN1C(=O)COc2ncc(F)cc21
InChIInChI=1S/C8H7FN2O2/c1-11-6-2-5(9)3-10-8(6)13-4-7(11)12/h2-3H,4H2,1H3
InChIKeyOQASJDNOYJOEKL-UHFFFAOYSA-N
XLogP0.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one (CID 138667813) is 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one is CN1C(=O)COc2ncc(F)cc21.
What is the InChIKey of 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is OQASJDNOYJOEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-11-6-2-5(9)3-10-8(6)13-4-7(11)12/h2-3H,4H2,1H3.
What are the key properties of 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 182.15 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 138667813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).