(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C9H11BrN2O — CID 129389119

IUPAC(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESC[C@@H]1COc2ccc(Br)nc2N1C
InChIInChI=1S/C9H11BrN2O/c1-6-5-13-7-3-4-8(10)11-9(7)12(6)2/h3-4,6H,5H2,1-2H3/t6-/m1/s1
InChIKeyCILCFYSAKKNWRR-ZCFIWIBFSA-N
MW243.10 g/mol
LogP2.06
Rot. Bonds

About (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 129389119) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID129389119
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESC[C@@H]1COc2ccc(Br)nc2N1C
InChIInChI=1S/C9H11BrN2O/c1-6-5-13-7-3-4-8(10)11-9(7)12(6)2/h3-4,6H,5H2,1-2H3/t6-/m1/s1
InChIKeyCILCFYSAKKNWRR-ZCFIWIBFSA-N
XLogP2.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 129389119) is (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is C[C@@H]1COc2ccc(Br)nc2N1C.
What is the InChIKey of (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is CILCFYSAKKNWRR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-5-13-7-3-4-8(10)11-9(7)12(6)2/h3-4,6H,5H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 243.10 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 129389119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).