7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C10H11BrN2O2 — CID 143482433

IUPAC7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC1(C)Oc2cc(Br)cnc2NC1=O
InChIInChI=1S/C10H11BrN2O2/c1-3-10(2)9(14)13-8-7(15-10)4-6(11)5-12-8/h4-5H,3H2,1-2H3,(H,12,13,14)
InChIKeyYVGPXFHBQNGLRC-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.34
Rot. Bonds1

About 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 143482433) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID143482433
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC1(C)Oc2cc(Br)cnc2NC1=O
InChIInChI=1S/C10H11BrN2O2/c1-3-10(2)9(14)13-8-7(15-10)4-6(11)5-12-8/h4-5H,3H2,1-2H3,(H,12,13,14)
InChIKeyYVGPXFHBQNGLRC-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 143482433) is 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCC1(C)Oc2cc(Br)cnc2NC1=O.
What is the InChIKey of 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is YVGPXFHBQNGLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-3-10(2)9(14)13-8-7(15-10)4-6(11)5-12-8/h4-5H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 271.11 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 143482433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).