6-bromo-3,4-dihydro-2H-1,4-benzoxazine

C8H8BrNO — CID 10727336

IUPAC6-bromo-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1ccc2c(c1)NCCO2
InChIInChI=1S/C8H8BrNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
InChIKeyRWKBNMSHIJBNAO-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.25
Rot. Bonds

About 6-bromo-3,4-dihydro-2H-1,4-benzoxazine

6-bromo-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 10727336) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID10727336
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name6-bromo-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1ccc2c(c1)NCCO2
InChIInChI=1S/C8H8BrNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
InChIKeyRWKBNMSHIJBNAO-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3,4-dihydro-2H-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-bromo-3,4-dihydro-2H-1,4-benzoxazine (CID 10727336) is 6-bromo-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,4-benzoxazine is Brc1ccc2c(c1)NCCO2.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is RWKBNMSHIJBNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2.
What are the key properties of 6-bromo-3,4-dihydro-2H-1,4-benzoxazine?
6-bromo-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 214.06 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 10727336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).