7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

C8H9BrClNO — CID 56965755

IUPAC7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESBrc1ccc2c(c1)OCCN2.Cl
InChIInChI=1S/C8H8BrNO.ClH/c9-6-1-2-7-8(5-6)11-4-3-10-7;/h1-2,5,10H,3-4H2;1H
InChIKeyQPJKEPXQSCQPEN-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.68
Rot. Bonds

About 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (PubChem CID 56965755) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
PubChem CID56965755
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESBrc1ccc2c(c1)OCCN2.Cl
InChIInChI=1S/C8H8BrNO.ClH/c9-6-1-2-7-8(5-6)11-4-3-10-7;/h1-2,5,10H,3-4H2;1H
InChIKeyQPJKEPXQSCQPEN-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 142558688
7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine
CID 144504371
8-bromo-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82232741
3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
CID 167717191
7-bromo-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 68868465
2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride
CID 164886209
3,4-dihydro-2H-benzo[g][1,4]benzoxazine
CID 83789533
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
7-bromo-3,4-dihydro-2H-5,1λ4,2-benzoxathiazepine 1-oxide
CID 166137935
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The IUPAC name of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (CID 56965755) is 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is Brc1ccc2c(c1)OCCN2.Cl.
What is the InChIKey of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The InChIKey is QPJKEPXQSCQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.ClH/c9-6-1-2-7-8(5-6)11-4-3-10-7;/h1-2,5,10H,3-4H2;1H.
What are the key properties of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride has a molecular weight of 250.52 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 56965755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).