7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine

C9H11BrN2O — CID 139485764

IUPAC7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine
SMILESCC1(C)CNc2cc(Br)cnc2O1
InChIInChI=1S/C9H11BrN2O/c1-9(2)5-12-7-3-6(10)4-11-8(7)13-9/h3-4,12H,5H2,1-2H3
InChIKeyJEBNSZCEYNIWSB-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.43
Rot. Bonds

About 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine

7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 139485764) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID139485764
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine
SMILESCC1(C)CNc2cc(Br)cnc2O1
InChIInChI=1S/C9H11BrN2O/c1-9(2)5-12-7-3-6(10)4-11-8(7)13-9/h3-4,12H,5H2,1-2H3
InChIKeyJEBNSZCEYNIWSB-UHFFFAOYSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine (CID 139485764) is 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine is CC1(C)CNc2cc(Br)cnc2O1.
What is the InChIKey of 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is JEBNSZCEYNIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-9(2)5-12-7-3-6(10)4-11-8(7)13-9/h3-4,12H,5H2,1-2H3.
What are the key properties of 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine?
7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 243.10 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 139485764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).