(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride

C9H11BrClNO2 — CID 136576225

IUPAC(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride
SMILESCl.OCC1CNc2cc(Br)ccc2O1
InChIInChI=1S/C9H10BrNO2.ClH/c10-6-1-2-9-8(3-6)11-4-7(5-12)13-9;/h1-3,7,11-12H,4-5H2;1H
InChIKeyGSTZTWKNZWGNFS-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.04
Rot. Bonds1

About (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride

(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride (PubChem CID 136576225) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride
PubChem CID136576225
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride
SMILESCl.OCC1CNc2cc(Br)ccc2O1
InChIInChI=1S/C9H10BrNO2.ClH/c10-6-1-2-9-8(3-6)11-4-7(5-12)13-9;/h1-3,7,11-12H,4-5H2;1H
InChIKeyGSTZTWKNZWGNFS-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride?
The IUPAC name of (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride (CID 136576225) is (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride is Cl.OCC1CNc2cc(Br)ccc2O1.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride?
The InChIKey is GSTZTWKNZWGNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2.ClH/c10-6-1-2-9-8(3-6)11-4-7(5-12)13-9;/h1-3,7,11-12H,4-5H2;1H.
What are the key properties of (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride?
(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride has a molecular weight of 280.55 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 136576225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).