7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione

C9H6BrNO4 — CID 130065009

IUPAC7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cc(Br)cc2[nH]c(=O)oc(=O)c12
InChIInChI=1S/C9H6BrNO4/c1-14-6-3-4(10)2-5-7(6)8(12)15-9(13)11-5/h2-3H,1H3,(H,11,13)
InChIKeyKGAYKUWKDOLGKU-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.25
Rot. Bonds1

About 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione

7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione (PubChem CID 130065009) has the molecular formula C9H6BrNO4 and a molecular weight of 272.05 g/mol. Its IUPAC name is 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione
PubChem CID130065009
Molecular FormulaC9H6BrNO4
Molecular Weight272.05 g/mol
Exact Mass270.95
IUPAC Name7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cc(Br)cc2[nH]c(=O)oc(=O)c12
InChIInChI=1S/C9H6BrNO4/c1-14-6-3-4(10)2-5-7(6)8(12)15-9(13)11-5/h2-3H,1H3,(H,11,13)
InChIKeyKGAYKUWKDOLGKU-UHFFFAOYSA-N
XLogP1.25
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 63109398
7-bromo-5-methoxy-1H-quinolin-2-one
CID 165134344
6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
CID 170790380
7-bromo-2,4-dichloro-9-methoxy-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indole
CID 58118556
7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one
CID 71295705
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
6-[amino-(4-bromo-2-methoxyphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 115368865
6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 86670580
5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione
CID 170859868
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
5-[(5-bromo-2-methoxyphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741525
2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol
CID 154728003

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione (CID 130065009) is 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione is COc1cc(Br)cc2[nH]c(=O)oc(=O)c12.
What is the InChIKey of 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is KGAYKUWKDOLGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO4/c1-14-6-3-4(10)2-5-7(6)8(12)15-9(13)11-5/h2-3H,1H3,(H,11,13).
What are the key properties of 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione?
7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 272.05 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 130065009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).