4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole

C7H4Br2N2O2 — CID 10990467

IUPAC4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole
SMILESCOc1cc2nonc2c(Br)c1Br
InChIInChI=1S/C7H4Br2N2O2/c1-12-4-2-3-7(11-13-10-3)6(9)5(4)8/h2H,1H3
InChIKeyOHBVIVMYPQSRBG-UHFFFAOYSA-N
MW307.93 g/mol
LogP2.76
Rot. Bonds1

About 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole

4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole (PubChem CID 10990467) has the molecular formula C7H4Br2N2O2 and a molecular weight of 307.93 g/mol. Its IUPAC name is 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole
PubChem CID10990467
Molecular FormulaC7H4Br2N2O2
Molecular Weight307.93 g/mol
Exact Mass305.86
IUPAC Name4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole
SMILESCOc1cc2nonc2c(Br)c1Br
InChIInChI=1S/C7H4Br2N2O2/c1-12-4-2-3-7(11-13-10-3)6(9)5(4)8/h2H,1H3
InChIKeyOHBVIVMYPQSRBG-UHFFFAOYSA-N
XLogP2.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.93
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole
CID 4519189
4-bromo-5-methoxy-2,1,3-benzoxadiazole
CID 615112
5-methoxy-2,1,3-benzoxadiazole-6-carbaldehyde
CID 82410218
CID 174071935
CID 174071935
1,3,4-tribromo-2-chloro-5-methoxybenzene
CID 169336784
4-bromo-3,5-dimethoxyphenol
CID 14339099
5-bromo-4-methyl-2,1,3-benzoxadiazole
CID 90403897
3-bromo-6,7-dimethoxyquinoxalin-2-amine
CID 133060724
2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene
CID 11681892
2,7-dibromo-11,12-dimethoxyphenanthro[9,10-b]quinoxaline
CID 101448354
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole?
The IUPAC name of 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole (CID 10990467) is 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole.
What is the SMILES notation for 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole?
The canonical SMILES for 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole is COc1cc2nonc2c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole?
The InChIKey is OHBVIVMYPQSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2O2/c1-12-4-2-3-7(11-13-10-3)6(9)5(4)8/h2H,1H3.
What are the key properties of 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole?
4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole has a molecular weight of 307.93 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole is sourced from PubChem (CID 10990467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).